id	sid	tid	token	lemma	pos
eurjchem-2480	1	1	evaluation	evaluation	NOUN
eurjchem-2480	1	2	of	of	ADP
eurjchem-2480	1	3	coulomb	coulomb	NOUN
eurjchem-2480	1	4	integrals	integral	NOUN
eurjchem-2480	1	5	with	with	ADP
eurjchem-2480	1	6	various	various	ADJ
eurjchem-2480	1	7	energy	energy	NOUN
eurjchem-2480	1	8	operators	operator	NOUN
eurjchem-2480	1	9	to	to	PART
eurjchem-2480	1	10	estimate	estimate	VERB
eurjchem-2480	1	11	the	the	DET
eurjchem-2480	1	12	correlation	correlation	NOUN
eurjchem-2480	1	13	energy	energy	NOUN
eurjchem-2480	1	14	in	in	ADP
eurjchem-2480	1	15	electronic	electronic	ADJ
eurjchem-2480	1	16	structure	structure	NOUN
eurjchem-2480	1	17	calculations	calculation	NOUN
eurjchem-2480	1	18	for	for	ADP
eurjchem-2480	1	19	molecules	molecule	NOUN
eurjchem-2480	1	20	european	european	PROPN
eurjchem-2480	1	21	journal	journal	PROPN
eurjchem-2480	1	22	of	of	ADP
eurjchem-2480	1	23	chemistry	chemistry	NOUN
eurjchem-2480	1	24	14	14	NUM
eurjchem-2480	1	25	(	(	PUNCT
eurjchem-2480	1	26	4	4	NUM
eurjchem-2480	1	27	)	)	PUNCT
eurjchem-2480	1	28	(	(	PUNCT
eurjchem-2480	1	29	2023	2023	NUM
eurjchem-2480	1	30	)	)	PUNCT
eurjchem-2480	1	31	486	486	NUM
eurjchem-2480	1	32	-	-	SYM
eurjchem-2480	1	33	493	493	NUM
eurjchem-2480	1	34	european	european	ADJ
eurjchem-2480	1	35	journal	journal	NOUN
eurjchem-2480	1	36	of	of	ADP
eurjchem-2480	1	37	chemistry	chemistry	NOUN
eurjchem-2480	1	38	issn	issn	VERB
eurjchem-2480	1	39	2153	2153	NUM
eurjchem-2480	1	40	-	-	SYM
eurjchem-2480	1	41	2249	2249	NUM
eurjchem-2480	1	42	(	(	PUNCT
eurjchem-2480	1	43	print	print	NOUN
eurjchem-2480	1	44	)	)	PUNCT
eurjchem-2480	1	45	/	/	PUNCT
eurjchem-2480	1	46	issn	issn	PROPN
eurjchem-2480	1	47	2153	2153	NUM
eurjchem-2480	1	48	-	-	SYM
eurjchem-2480	1	49	2257	2257	NUM
eurjchem-2480	1	50	(	(	PUNCT
eurjchem-2480	1	51	online	online	ADJ
eurjchem-2480	1	52	)	)	PUNCT
eurjchem-2480	1	53	–	–	PUNCT
eurjchem-2480	2	1	copyright	copyright	NOUN
eurjchem-2480	2	2	©	©	PROPN
eurjchem-2480	2	3	2023	2023	NUM
eurjchem-2480	2	4	the	the	DET
eurjchem-2480	2	5	authors	author	NOUN
eurjchem-2480	2	6	–	–	PUNCT
eurjchem-2480	2	7	atlanta	atlanta	PROPN
eurjchem-2480	2	8	publishing	publishing	PROPN
eurjchem-2480	2	9	house	house	PROPN
eurjchem-2480	2	10	llc	llc	PROPN
eurjchem-2480	2	11	–	–	PUNCT
eurjchem-2480	2	12	printed	print	VERB
eurjchem-2480	2	13	in	in	ADP
eurjchem-2480	2	14	the	the	DET
eurjchem-2480	2	15	usa	usa	PROPN
eurjchem-2480	2	16	.	.	PUNCT
eurjchem-2480	3	1	this	this	DET
eurjchem-2480	3	2	work	work	NOUN
eurjchem-2480	3	3	is	be	AUX
eurjchem-2480	3	4	published	publish	VERB
eurjchem-2480	3	5	and	and	CCONJ
eurjchem-2480	3	6	licensed	license	VERB
eurjchem-2480	3	7	by	by	ADP
eurjchem-2480	3	8	atlanta	atlanta	PROPN
eurjchem-2480	3	9	publishing	publishing	PROPN
eurjchem-2480	3	10	house	house	PROPN
eurjchem-2480	3	11	llc	llc	PROPN
eurjchem-2480	3	12	–	–	PUNCT
eurjchem-2480	3	13	cc	cc	PROPN
eurjchem-2480	3	14	by	by	ADP
eurjchem-2480	3	15	nc	nc	PROPN
eurjchem-2480	3	16	–	–	PUNCT
eurjchem-2480	3	17	some	some	DET
eurjchem-2480	3	18	rights	right	NOUN
eurjchem-2480	3	19	reserved	reserve	VERB
eurjchem-2480	3	20	.	.	PUNCT
eurjchem-2480	4	1	https://dx.doi.org/10.5155/eurjchem.14.4.486-493.2480	https://dx.doi.org/10.5155/eurjchem.14.4.486-493.2480	PROPN
eurjchem-2480	4	2	european	european	PROPN
eurjchem-2480	4	3	journal	journal	PROPN
eurjchem-2480	4	4	of	of	ADP
eurjchem-2480	4	5	chemistry	chemistry	NOUN
eurjchem-2480	4	6	view	view	NOUN
eurjchem-2480	4	7	journal	journal	PROPN
eurjchem-2480	4	8	online	online	PROPN
eurjchem-2480	4	9	view	view	NOUN
eurjchem-2480	4	10	article	article	NOUN
eurjchem-2480	4	11	online	online	ADJ
eurjchem-2480	4	12	evaluation	evaluation	NOUN
eurjchem-2480	4	13	of	of	ADP
eurjchem-2480	4	14	coulomb	coulomb	NOUN
eurjchem-2480	4	15	integrals	integral	NOUN
eurjchem-2480	4	16	with	with	ADP
eurjchem-2480	4	17	various	various	ADJ
eurjchem-2480	4	18	energy	energy	NOUN
eurjchem-2480	4	19	operators	operator	NOUN
eurjchem-2480	4	20	to	to	PART
eurjchem-2480	4	21	estimate	estimate	VERB
eurjchem-2480	4	22	the	the	DET
eurjchem-2480	4	23	correlation	correlation	NOUN
eurjchem-2480	4	24	energy	energy	NOUN
eurjchem-2480	4	25	in	in	ADP
eurjchem-2480	4	26	electronic	electronic	ADJ
eurjchem-2480	4	27	structure	structure	NOUN
eurjchem-2480	4	28	calculations	calculation	NOUN
eurjchem-2480	4	29	for	for	ADP
eurjchem-2480	4	30	molecules	molecule	NOUN
eurjchem-2480	4	31	sandor	sandor	PROPN
eurjchem-2480	4	32	kristyan	kristyan	PROPN
eurjchem-2480	5	1	*	*	PUNCT
eurjchem-2480	5	2	hun	hun	PROPN
eurjchem-2480	5	3	-	-	PUNCT
eurjchem-2480	5	4	ren	ren	PROPN
eurjchem-2480	5	5	research	research	NOUN
eurjchem-2480	5	6	centre	centre	NOUN
eurjchem-2480	5	7	for	for	ADP
eurjchem-2480	5	8	natural	natural	ADJ
eurjchem-2480	5	9	sciences	science	NOUN
eurjchem-2480	5	10	,	,	PUNCT
eurjchem-2480	5	11	h-1117	h-1117	PROPN
eurjchem-2480	5	12	budapest	budapest	NOUN
eurjchem-2480	5	13	,	,	PUNCT
eurjchem-2480	5	14	magyar	magyar	PROPN
eurjchem-2480	5	15	tudósok	tudósok	NOUN
eurjchem-2480	5	16	körútja	körútja	NOUN
eurjchem-2480	5	17	2	2	NUM
eurjchem-2480	5	18	,	,	PUNCT
eurjchem-2480	5	19	hungary	hungary	NOUN
eurjchem-2480	5	20	*	*	PUNCT
eurjchem-2480	5	21	corresponding	correspond	VERB
eurjchem-2480	5	22	author	author	NOUN
eurjchem-2480	5	23	at	at	ADP
eurjchem-2480	5	24	:	:	PUNCT
eurjchem-2480	5	25	hun	hun	PROPN
eurjchem-2480	5	26	-	-	PUNCT
eurjchem-2480	5	27	ren	ren	PROPN
eurjchem-2480	5	28	research	research	NOUN
eurjchem-2480	5	29	centre	centre	NOUN
eurjchem-2480	5	30	for	for	ADP
eurjchem-2480	5	31	natural	natural	ADJ
eurjchem-2480	5	32	sciences	science	NOUN
eurjchem-2480	5	33	,	,	PUNCT
eurjchem-2480	5	34	h-1117	h-1117	PROPN
eurjchem-2480	5	35	budapest	budapest	NOUN
eurjchem-2480	5	36	,	,	PUNCT
eurjchem-2480	5	37	magyar	magyar	PROPN
eurjchem-2480	5	38	tudósok	tudósok	NOUN
eurjchem-2480	5	39	körútja	körútja	NOUN
eurjchem-2480	5	40	2	2	NUM
eurjchem-2480	5	41	,	,	PUNCT
eurjchem-2480	5	42	hungary	hungary	NOUN
eurjchem-2480	5	43	.	.	PUNCT
eurjchem-2480	6	1	e	e	X
eurjchem-2480	6	2	-	-	NOUN
eurjchem-2480	6	3	mail	mail	NOUN
eurjchem-2480	6	4	:	:	PUNCT
eurjchem-2480	6	5	kristyan.sandor@ttk.mta.hu	kristyan.sandor@ttk.mta.hu	PROPN
eurjchem-2480	6	6	(	(	PUNCT
eurjchem-2480	6	7	s.	s.	PROPN
eurjchem-2480	6	8	kristyan	kristyan	PROPN
eurjchem-2480	6	9	)	)	PUNCT
eurjchem-2480	6	10	.	.	PUNCT
eurjchem-2480	7	1	10.5155	10.5155	NUM
eurjchem-2480	7	2	/	/	SYM
eurjchem-2480	7	3	eurjchem.14.4.486	eurjchem.14.4.486	NUM
eurjchem-2480	7	4	-	-	PUNCT
eurjchem-2480	7	5	493.2480	493.2480	PROPN
eurjchem-2480	7	6	received	receive	VERB
eurjchem-2480	7	7	:	:	PUNCT
eurjchem-2480	7	8	21	21	NUM
eurjchem-2480	7	9	september	september	PROPN
eurjchem-2480	7	10	2023	2023	NUM
eurjchem-2480	7	11	received	receive	VERB
eurjchem-2480	7	12	in	in	ADP
eurjchem-2480	7	13	revised	revise	VERB
eurjchem-2480	7	14	form	form	NOUN
eurjchem-2480	7	15	:	:	PUNCT
eurjchem-2480	7	16	10	10	NUM
eurjchem-2480	7	17	november	november	PROPN
eurjchem-2480	7	18	2023	2023	NUM
eurjchem-2480	7	19	accepted	accept	VERB
eurjchem-2480	7	20	:	:	PUNCT
eurjchem-2480	7	21	02	02	NUM
eurjchem-2480	7	22	december	december	PROPN
eurjchem-2480	7	23	2023	2023	NUM
eurjchem-2480	7	24	published	publish	VERB
eurjchem-2480	7	25	online	online	NOUN
eurjchem-2480	7	26	:	:	PUNCT
eurjchem-2480	7	27	31	31	NUM
eurjchem-2480	7	28	december	december	PROPN
eurjchem-2480	7	29	2023	2023	NUM
eurjchem-2480	7	30	printed	print	VERB
eurjchem-2480	7	31	:	:	PUNCT
eurjchem-2480	7	32	31	31	NUM
eurjchem-2480	7	33	december	december	PROPN
eurjchem-2480	7	34	2023	2023	NUM
eurjchem-2480	7	35	using	use	VERB
eurjchem-2480	7	36	energy	energy	NOUN
eurjchem-2480	7	37	operators	operator	NOUN
eurjchem-2480	7	38	rc1	rc1	NOUN
eurjchem-2480	7	39	-	-	PUNCT
eurjchem-2480	7	40	nrd1	nrd1	NOUN
eurjchem-2480	7	41	-	-	PUNCT
eurjchem-2480	7	42	m	m	PROPN
eurjchem-2480	7	43	,	,	PUNCT
eurjchem-2480	7	44	rc1	rc1	PROPN
eurjchem-2480	7	45	-	-	PUNCT
eurjchem-2480	7	46	nr12	nr12	PROPN
eurjchem-2480	7	47	-	-	PUNCT
eurjchem-2480	7	48	m	m	PROPN
eurjchem-2480	7	49	,	,	PUNCT
eurjchem-2480	7	50	and	and	CCONJ
eurjchem-2480	7	51	r12	r12	NOUN
eurjchem-2480	7	52	-	-	PUNCT
eurjchem-2480	7	53	nr13	nr13	PROPN
eurjchem-2480	7	54	-	-	PUNCT
eurjchem-2480	7	55	m	m	PROPN
eurjchem-2480	7	56	with	with	ADP
eurjchem-2480	7	57	small	small	ADJ
eurjchem-2480	7	58	(	(	PUNCT
eurjchem-2480	7	59	n	n	CCONJ
eurjchem-2480	7	60	,	,	PUNCT
eurjchem-2480	7	61	m	m	NOUN
eurjchem-2480	7	62	)	)	PUNCT
eurjchem-2480	7	63	values	value	NOUN
eurjchem-2480	7	64	is	be	AUX
eurjchem-2480	7	65	fundamental	fundamental	ADJ
eurjchem-2480	7	66	in	in	ADP
eurjchem-2480	7	67	electronic	electronic	ADJ
eurjchem-2480	7	68	structure	structure	NOUN
eurjchem-2480	7	69	calculations	calculation	NOUN
eurjchem-2480	7	70	.	.	PUNCT
eurjchem-2480	8	1	analytical	analytical	ADJ
eurjchem-2480	8	2	integrations	integration	NOUN
eurjchem-2480	8	3	of	of	ADP
eurjchem-2480	8	4	the	the	DET
eurjchem-2480	8	5	cases	case	NOUN
eurjchem-2480	8	6	(	(	PUNCT
eurjchem-2480	8	7	n	n	X
eurjchem-2480	8	8	,	,	PUNCT
eurjchem-2480	8	9	m	m	NOUN
eurjchem-2480	8	10	)	)	PUNCT
eurjchem-2480	8	11	=	=	SYM
eurjchem-2480	8	12	(	(	PUNCT
eurjchem-2480	8	13	1	1	NUM
eurjchem-2480	8	14	,	,	PUNCT
eurjchem-2480	8	15	0	0	NUM
eurjchem-2480	8	16	)	)	PUNCT
eurjchem-2480	8	17	and	and	CCONJ
eurjchem-2480	8	18	(	(	PUNCT
eurjchem-2480	8	19	0	0	NUM
eurjchem-2480	8	20	,	,	PUNCT
eurjchem-2480	8	21	1	1	NUM
eurjchem-2480	8	22	)	)	PUNCT
eurjchem-2480	8	23	are	be	AUX
eurjchem-2480	8	24	based	base	VERB
eurjchem-2480	8	25	on	on	ADP
eurjchem-2480	8	26	the	the	DET
eurjchem-2480	8	27	laplace	laplace	NOUN
eurjchem-2480	8	28	transformation	transformation	NOUN
eurjchem-2480	8	29	with	with	ADP
eurjchem-2480	8	30	the	the	DET
eurjchem-2480	8	31	integrand	integrand	PROPN
eurjchem-2480	8	32	exp(-a2t2	exp(-a2t2	NOUN
eurjchem-2480	8	33	)	)	PUNCT
eurjchem-2480	8	34	,	,	PUNCT
eurjchem-2480	8	35	the	the	DET
eurjchem-2480	8	36	other	other	ADJ
eurjchem-2480	8	37	cases	case	NOUN
eurjchem-2480	8	38	are	be	AUX
eurjchem-2480	8	39	based	base	VERB
eurjchem-2480	8	40	on	on	ADP
eurjchem-2480	8	41	the	the	DET
eurjchem-2480	8	42	laplace	laplace	NOUN
eurjchem-2480	8	43	transformation	transformation	NOUN
eurjchem-2480	8	44	with	with	ADP
eurjchem-2480	8	45	the	the	DET
eurjchem-2480	8	46	integrand	integrand	PROPN
eurjchem-2480	8	47	exp(-a2	exp(-a2	PROPN
eurjchem-2480	8	48	t	t	PROPN
eurjchem-2480	8	49	)	)	PUNCT
eurjchem-2480	8	50	and	and	CCONJ
eurjchem-2480	8	51	the	the	DET
eurjchem-2480	8	52	two	two	NUM
eurjchem-2480	8	53	-	-	PUNCT
eurjchem-2480	8	54	dimensional	dimensional	ADJ
eurjchem-2480	8	55	version	version	NOUN
eurjchem-2480	8	56	of	of	ADP
eurjchem-2480	8	57	the	the	DET
eurjchem-2480	8	58	boys	boy	NOUN
eurjchem-2480	8	59	function	function	VERB
eurjchem-2480	8	60	.	.	PUNCT
eurjchem-2480	9	1	these	these	DET
eurjchem-2480	9	2	analytic	analytic	ADJ
eurjchem-2480	9	3	expressions	expression	NOUN
eurjchem-2480	9	4	,	,	PUNCT
eurjchem-2480	9	5	with	with	ADP
eurjchem-2480	9	6	gaussian	gaussian	ADJ
eurjchem-2480	9	7	function	function	NOUN
eurjchem-2480	9	8	integrands	integrand	NOUN
eurjchem-2480	9	9	,	,	PUNCT
eurjchem-2480	9	10	are	be	AUX
eurjchem-2480	9	11	useful	useful	ADJ
eurjchem-2480	9	12	for	for	ADP
eurjchem-2480	9	13	manipulation	manipulation	NOUN
eurjchem-2480	9	14	with	with	ADP
eurjchem-2480	9	15	higher	high	ADJ
eurjchem-2480	9	16	moments	moment	NOUN
eurjchem-2480	9	17	of	of	ADP
eurjchem-2480	9	18	interelectronic	interelectronic	ADJ
eurjchem-2480	9	19	distances	distance	NOUN
eurjchem-2480	9	20	,	,	PUNCT
eurjchem-2480	9	21	for	for	ADP
eurjchem-2480	9	22	example	example	NOUN
eurjchem-2480	9	23	,	,	PUNCT
eurjchem-2480	9	24	in	in	ADP
eurjchem-2480	9	25	correlation	correlation	NOUN
eurjchem-2480	9	26	calculations	calculation	NOUN
eurjchem-2480	9	27	.	.	PUNCT
eurjchem-2480	10	1	the	the	DET
eurjchem-2480	10	2	equations	equation	NOUN
eurjchem-2480	10	3	derived	derive	VERB
eurjchem-2480	10	4	help	help	NOUN
eurjchem-2480	10	5	to	to	PART
eurjchem-2480	10	6	evaluate	evaluate	VERB
eurjchem-2480	10	7	the	the	DET
eurjchem-2480	10	8	one-	one-	ADJ
eurjchem-2480	10	9	,	,	PUNCT
eurjchem-2480	10	10	two-	two-	ADJ
eurjchem-2480	10	11	,	,	PUNCT
eurjchem-2480	10	12	and	and	CCONJ
eurjchem-2480	10	13	three	three	NUM
eurjchem-2480	10	14	-	-	PUNCT
eurjchem-2480	10	15	electron	electron	NOUN
eurjchem-2480	10	16	coulomb	coulomb	NOUN
eurjchem-2480	10	17	integrals	integral	NOUN
eurjchem-2480	10	18	,	,	PUNCT
eurjchem-2480	10	19	∫ρ(1)rc1	∫ρ(1)rc1	ADJ
eurjchem-2480	10	20	-	-	ADJ
eurjchem-2480	10	21	nrd1	nrd1	NOUN
eurjchem-2480	10	22	-	-	PUNCT
eurjchem-2480	10	23	mdr1	mdr1	PROPN
eurjchem-2480	10	24	,	,	PUNCT
eurjchem-2480	10	25	∫ρ(1)ρ(2)rc1	∫ρ(1)ρ(2)rc1	PROPN
eurjchem-2480	10	26	-	-	PUNCT
eurjchem-2480	10	27	n	n	CCONJ
eurjchem-2480	10	28	r12	r12	NOUN
eurjchem-2480	10	29	-	-	PUNCT
eurjchem-2480	10	30	mdr1dr2	mdr1dr2	NOUN
eurjchem-2480	10	31	,	,	PUNCT
eurjchem-2480	10	32	and	and	CCONJ
eurjchem-2480	10	33	∫ρ(1)ρ(2)ρ(3)r12	∫ρ(1)ρ(2)ρ(3)r12	PROPN
eurjchem-2480	10	34	-	-	PUNCT
eurjchem-2480	10	35	nr13	nr13	PROPN
eurjchem-2480	10	36	-	-	PUNCT
eurjchem-2480	10	37	mdr1dr2dr3	mdr1dr2dr3	PROPN
eurjchem-2480	10	38	,	,	PUNCT
eurjchem-2480	10	39	wherein	wherein	SCONJ
eurjchem-2480	10	40	ρ(i	ρ(i	PROPN
eurjchem-2480	10	41	)	)	PUNCT
eurjchem-2480	10	42	is	be	AUX
eurjchem-2480	10	43	the	the	DET
eurjchem-2480	10	44	one	one	NUM
eurjchem-2480	10	45	-	-	PUNCT
eurjchem-2480	10	46	electron	electron	NOUN
eurjchem-2480	10	47	density	density	NOUN
eurjchem-2480	10	48	describing	describe	VERB
eurjchem-2480	10	49	the	the	DET
eurjchem-2480	10	50	electron	electron	NOUN
eurjchem-2480	10	51	clouds	cloud	NOUN
eurjchem-2480	10	52	in	in	ADP
eurjchem-2480	10	53	molecules	molecule	NOUN
eurjchem-2480	10	54	,	,	PUNCT
eurjchem-2480	10	55	solids	solid	NOUN
eurjchem-2480	10	56	,	,	PUNCT
eurjchem-2480	10	57	or	or	CCONJ
eurjchem-2480	10	58	any	any	DET
eurjchem-2480	10	59	media	medium	NOUN
eurjchem-2480	10	60	or	or	CCONJ
eurjchem-2480	10	61	ensemble	ensemble	ADJ
eurjchem-2480	10	62	of	of	ADP
eurjchem-2480	10	63	materials	material	NOUN
eurjchem-2480	10	64	.	.	PUNCT
eurjchem-2480	11	1	analytical	analytical	ADJ
eurjchem-2480	11	2	solutions	solution	NOUN
eurjchem-2480	11	3	to	to	ADP
eurjchem-2480	11	4	integrals	integral	NOUN
eurjchem-2480	11	5	are	be	AUX
eurjchem-2480	11	6	more	more	ADV
eurjchem-2480	11	7	useful	useful	ADJ
eurjchem-2480	11	8	than	than	ADP
eurjchem-2480	11	9	numeric	numeric	ADJ
eurjchem-2480	11	10	solutions	solution	NOUN
eurjchem-2480	11	11	;	;	PUNCT
eurjchem-2480	11	12	however	however	ADV
eurjchem-2480	11	13	,	,	PUNCT
eurjchem-2480	11	14	the	the	DET
eurjchem-2480	11	15	former	former	ADJ
eurjchem-2480	11	16	is	be	AUX
eurjchem-2480	11	17	not	not	PART
eurjchem-2480	11	18	available	available	ADJ
eurjchem-2480	11	19	in	in	ADP
eurjchem-2480	11	20	many	many	ADJ
eurjchem-2480	11	21	cases	case	NOUN
eurjchem-2480	11	22	.	.	PUNCT
eurjchem-2480	12	1	we	we	PRON
eurjchem-2480	12	2	evaluate	evaluate	VERB
eurjchem-2480	12	3	these	these	DET
eurjchem-2480	12	4	integrals	integral	NOUN
eurjchem-2480	12	5	numerically	numerically	ADV
eurjchem-2480	12	6	,	,	PUNCT
eurjchem-2480	12	7	even	even	ADV
eurjchem-2480	12	8	more	more	ADV
eurjchem-2480	12	9	so	so	ADV
eurjchem-2480	12	10	,	,	PUNCT
eurjchem-2480	12	11	the	the	DET
eurjchem-2480	12	12	∫f(ρ(1))dr1	∫f(ρ(1))dr1	NOUN
eurjchem-2480	12	13	to	to	ADP
eurjchem-2480	12	14	∫f(ρ(1),ρ(2),ρ(3))dr1dr2dr3	∫f(ρ(1),ρ(2),ρ(3))dr1dr2dr3	PROPN
eurjchem-2480	12	15	with	with	ADP
eurjchem-2480	12	16	the	the	DET
eurjchem-2480	12	17	analytical	analytical	ADJ
eurjchem-2480	12	18	function	function	NOUN
eurjchem-2480	12	19	f.	f.	PROPN
eurjchem-2480	12	20	for	for	ADP
eurjchem-2480	12	21	this	this	DET
eurjchem-2480	12	22	task	task	NOUN
eurjchem-2480	12	23	,	,	PUNCT
eurjchem-2480	12	24	the	the	DET
eurjchem-2480	12	25	commonly	commonly	ADV
eurjchem-2480	12	26	used	use	VERB
eurjchem-2480	12	27	density	density	NOUN
eurjchem-2480	12	28	functional	functional	ADJ
eurjchem-2480	12	29	theory	theory	NOUN
eurjchem-2480	12	30	numerical	numerical	PROPN
eurjchem-2480	12	31	integration	integration	NOUN
eurjchem-2480	12	32	scheme	scheme	NOUN
eurjchem-2480	12	33	has	have	AUX
eurjchem-2480	12	34	been	be	AUX
eurjchem-2480	12	35	elaborated	elaborate	VERB
eurjchem-2480	12	36	to	to	ADP
eurjchem-2480	12	37	6	6	NUM
eurjchem-2480	12	38	and	and	CCONJ
eurjchem-2480	12	39	9	9	NUM
eurjchem-2480	12	40	dimensions	dimension	NOUN
eurjchem-2480	12	41	via	via	ADP
eurjchem-2480	12	42	descartes	descartes	PROPN
eurjchem-2480	12	43	product	product	NOUN
eurjchem-2480	12	44	.	.	PUNCT
eurjchem-2480	13	1	more	more	ADV
eurjchem-2480	13	2	importantly	importantly	ADV
eurjchem-2480	13	3	,	,	PUNCT
eurjchem-2480	13	4	this	this	DET
eurjchem-2480	13	5	numerical	numerical	ADJ
eurjchem-2480	13	6	integration	integration	NOUN
eurjchem-2480	13	7	scheme	scheme	NOUN
eurjchem-2480	13	8	works	work	VERB
eurjchem-2480	13	9	not	not	PART
eurjchem-2480	13	10	only	only	ADV
eurjchem-2480	13	11	for	for	ADP
eurjchem-2480	13	12	gaussian	gaussian	ADJ
eurjchem-2480	13	13	type	type	NOUN
eurjchem-2480	13	14	but	but	CCONJ
eurjchem-2480	13	15	also	also	ADV
eurjchem-2480	13	16	for	for	ADP
eurjchem-2480	13	17	slaterian	slaterian	ADJ
eurjchem-2480	13	18	types	type	NOUN
eurjchem-2480	13	19	.	.	PUNCT
eurjchem-2480	14	1	analogy	analogy	NOUN
eurjchem-2480	14	2	is	be	AUX
eurjchem-2480	14	3	commented	comment	VERB
eurjchem-2480	14	4	on	on	ADP
eurjchem-2480	14	5	in	in	ADP
eurjchem-2480	14	6	terms	term	NOUN
eurjchem-2480	14	7	of	of	ADP
eurjchem-2480	14	8	the	the	DET
eurjchem-2480	14	9	powerful	powerful	ADJ
eurjchem-2480	14	10	empirical	empirical	ADJ
eurjchem-2480	14	11	correction	correction	NOUN
eurjchem-2480	14	12	between	between	ADP
eurjchem-2480	14	13	quantum	quantum	ADJ
eurjchem-2480	14	14	potential	potential	ADJ
eurjchem-2480	14	15	energy	energy	NOUN
eurjchem-2480	14	16	correction	correction	NOUN
eurjchem-2480	14	17	and	and	CCONJ
eurjchem-2480	14	18	the	the	DET
eurjchem-2480	14	19	empirically	empirically	ADV
eurjchem-2480	14	20	corrected	correct	VERB
eurjchem-2480	14	21	newton	newton	PROPN
eurjchem-2480	14	22	’s	’s	PART
eurjchem-2480	14	23	universal	universal	ADJ
eurjchem-2480	14	24	law	law	NOUN
eurjchem-2480	14	25	of	of	ADP
eurjchem-2480	14	26	gravity	gravity	NOUN
eurjchem-2480	14	27	in	in	ADP
eurjchem-2480	14	28	the	the	DET
eurjchem-2480	14	29	explanation	explanation	NOUN
eurjchem-2480	14	30	of	of	ADP
eurjchem-2480	14	31	dark	dark	ADJ
eurjchem-2480	14	32	matter	matter	NOUN
eurjchem-2480	14	33	and	and	CCONJ
eurjchem-2480	14	34	energy	energy	NOUN
eurjchem-2480	14	35	,	,	PUNCT
eurjchem-2480	14	36	as	as	ADV
eurjchem-2480	14	37	well	well	ADV
eurjchem-2480	14	38	as	as	ADP
eurjchem-2480	14	39	its	its	PRON
eurjchem-2480	14	40	relation	relation	NOUN
eurjchem-2480	14	41	to	to	ADP
eurjchem-2480	14	42	hartree	hartree	ADV
eurjchem-2480	14	43	-	-	PUNCT
eurjchem-2480	14	44	fock	fock	ADJ
eurjchem-2480	14	45	and	and	CCONJ
eurjchem-2480	14	46	kohnsham	kohnsham	PROPN
eurjchem-2480	14	47	formalisms	formalism	NOUN
eurjchem-2480	14	48	.	.	PUNCT
eurjchem-2480	15	1	r12	r12	ADJ
eurjchem-2480	15	2	theory	theory	NOUN
eurjchem-2480	15	3	kohn	kohn	PROPN
eurjchem-2480	15	4	-	-	PUNCT
eurjchem-2480	15	5	sham	sham	PROPN
eurjchem-2480	15	6	formalism	formalism	NOUN
eurjchem-2480	15	7	two	two	NUM
eurjchem-2480	15	8	-	-	PUNCT
eurjchem-2480	15	9	dimensional	dimensional	ADJ
eurjchem-2480	15	10	boys	boy	NOUN
eurjchem-2480	15	11	function	function	VERB
eurjchem-2480	15	12	newton	newton	PROPN
eurjchem-2480	15	13	’s	’s	PART
eurjchem-2480	15	14	universal	universal	ADJ
eurjchem-2480	15	15	law	law	NOUN
eurjchem-2480	15	16	of	of	ADP
eurjchem-2480	15	17	gravity	gravity	NOUN
eurjchem-2480	15	18	higher	high	ADJ
eurjchem-2480	15	19	moment	moment	NOUN
eurjchem-2480	15	20	coulomb	coulomb	NOUN
eurjchem-2480	15	21	energy	energy	NOUN
eurjchem-2480	15	22	operators	operator	NOUN
eurjchem-2480	15	23	becke	becke	PROPN
eurjchem-2480	15	24	-	-	PUNCT
eurjchem-2480	15	25	lebedev	lebedev	PROPN
eurjchem-2480	15	26	-	-	PUNCT
eurjchem-2480	15	27	voronoi	voronoi	PROPN
eurjchem-2480	15	28	numerical	numerical	ADJ
eurjchem-2480	15	29	integration	integration	NOUN
eurjchem-2480	15	30	cite	cite	VERB
eurjchem-2480	15	31	this	this	PRON
eurjchem-2480	15	32	:	:	PUNCT
eurjchem-2480	15	33	eur	eur	PROPN
eurjchem-2480	15	34	.	.	PUNCT
eurjchem-2480	16	1	j.	j.	PROPN
eurjchem-2480	16	2	chem	chem	PROPN
eurjchem-2480	16	3	.	.	PUNCT
eurjchem-2480	17	1	2023	2023	NUM
eurjchem-2480	17	2	,	,	PUNCT
eurjchem-2480	17	3	14(4	14(4	NUM
eurjchem-2480	17	4	)	)	PUNCT
eurjchem-2480	17	5	,	,	PUNCT
eurjchem-2480	17	6	486	486	NUM
eurjchem-2480	17	7	-	-	SYM
eurjchem-2480	17	8	493	493	NUM
eurjchem-2480	17	9	journal	journal	NOUN
eurjchem-2480	17	10	website	website	NOUN
eurjchem-2480	17	11	:	:	PUNCT
eurjchem-2480	17	12	www.eurjchem.com	www.eurjchem.com	X
eurjchem-2480	17	13	1	1	X
eurjchem-2480	17	14	.	.	X
eurjchem-2480	17	15	introduction	introduction	NOUN
eurjchem-2480	17	16	the	the	DET
eurjchem-2480	17	17	goal	goal	NOUN
eurjchem-2480	17	18	of	of	ADP
eurjchem-2480	17	19	this	this	DET
eurjchem-2480	17	20	work	work	NOUN
eurjchem-2480	17	21	is	be	AUX
eurjchem-2480	17	22	to	to	PART
eurjchem-2480	17	23	discuss	discuss	VERB
eurjchem-2480	17	24	some	some	DET
eurjchem-2480	17	25	extensions	extension	NOUN
eurjchem-2480	17	26	of	of	ADP
eurjchem-2480	17	27	coulomb	coulomb	NOUN
eurjchem-2480	17	28	integrals	integral	NOUN
eurjchem-2480	17	29	(	(	PUNCT
eurjchem-2480	17	30	with	with	ADP
eurjchem-2480	17	31	respect	respect	NOUN
eurjchem-2480	17	32	to	to	ADP
eurjchem-2480	17	33	the	the	DET
eurjchem-2480	17	34	integrand	integrand	NOUN
eurjchem-2480	17	35	and	and	CCONJ
eurjchem-2480	17	36	the	the	DET
eurjchem-2480	17	37	evaluation	evaluation	NOUN
eurjchem-2480	17	38	)	)	PUNCT
eurjchem-2480	17	39	for	for	ADP
eurjchem-2480	17	40	wider	wide	ADJ
eurjchem-2480	17	41	applicability	applicability	NOUN
eurjchem-2480	17	42	in	in	ADP
eurjchem-2480	17	43	quantum	quantum	ADJ
eurjchem-2480	17	44	chemical	chemical	NOUN
eurjchem-2480	17	45	calculations	calculation	NOUN
eurjchem-2480	17	46	.	.	PUNCT
eurjchem-2480	18	1	integrations	integration	NOUN
eurjchem-2480	18	2	in	in	ADP
eurjchem-2480	18	3	solving	solve	VERB
eurjchem-2480	18	4	the	the	DET
eurjchem-2480	18	5	non	non	ADJ
eurjchem-2480	18	6	-	-	ADJ
eurjchem-2480	18	7	relativistic	relativistic	ADJ
eurjchem-2480	18	8	schrödinger	schrödinger	ADJ
eurjchem-2480	18	9	equation	equation	NOUN
eurjchem-2480	18	10	are	be	AUX
eurjchem-2480	18	11	a	a	DET
eurjchem-2480	18	12	basic	basic	ADJ
eurjchem-2480	18	13	and	and	CCONJ
eurjchem-2480	18	14	inevitable	inevitable	ADJ
eurjchem-2480	18	15	step	step	NOUN
eurjchem-2480	18	16	analytically	analytically	ADV
eurjchem-2480	18	17	,	,	PUNCT
eurjchem-2480	18	18	and	and	CCONJ
eurjchem-2480	18	19	if	if	SCONJ
eurjchem-2480	18	20	not	not	PART
eurjchem-2480	18	21	applicable	applicable	ADJ
eurjchem-2480	18	22	,	,	PUNCT
eurjchem-2480	18	23	numerically	numerically	ADV
eurjchem-2480	18	24	.	.	PUNCT
eurjchem-2480	19	1	even	even	ADV
eurjchem-2480	19	2	in	in	ADP
eurjchem-2480	19	3	basis	basis	NOUN
eurjchem-2480	19	4	hartree	hartree	NOUN
eurjchem-2480	19	5	-	-	PUNCT
eurjchem-2480	19	6	fock	fock	ADJ
eurjchem-2480	19	7	(	(	PUNCT
eurjchem-2480	19	8	hf	hf	NOUN
eurjchem-2480	19	9	)	)	PUNCT
eurjchem-2480	19	10	and	and	CCONJ
eurjchem-2480	19	11	post	post	ADJ
eurjchem-2480	19	12	-	-	ADJ
eurjchem-2480	19	13	hf	hf	ADJ
eurjchem-2480	19	14	theories	theory	NOUN
eurjchem-2480	19	15	with	with	ADP
eurjchem-2480	19	16	very	very	ADV
eurjchem-2480	19	17	large	large	ADJ
eurjchem-2480	19	18	basis	basis	NOUN
eurjchem-2480	19	19	sets	set	NOUN
eurjchem-2480	19	20	,	,	PUNCT
eurjchem-2480	19	21	sometimes	sometimes	ADV
eurjchem-2480	19	22	the	the	DET
eurjchem-2480	19	23	numerical	numerical	ADJ
eurjchem-2480	19	24	integration	integration	NOUN
eurjchem-2480	19	25	competes	compete	VERB
eurjchem-2480	19	26	with	with	ADP
eurjchem-2480	19	27	the	the	DET
eurjchem-2480	19	28	large	large	ADJ
eurjchem-2480	19	29	number	number	NOUN
eurjchem-2480	19	30	of	of	ADP
eurjchem-2480	19	31	steps	step	NOUN
eurjchem-2480	19	32	in	in	ADP
eurjchem-2480	19	33	analytical	analytical	ADJ
eurjchem-2480	19	34	integration	integration	NOUN
eurjchem-2480	19	35	.	.	PUNCT
eurjchem-2480	20	1	more	more	ADV
eurjchem-2480	20	2	importantly	importantly	ADV
eurjchem-2480	20	3	,	,	PUNCT
eurjchem-2480	20	4	there	there	PRON
eurjchem-2480	20	5	are	be	VERB
eurjchem-2480	20	6	fundamental	fundamental	ADJ
eurjchem-2480	20	7	and	and	CCONJ
eurjchem-2480	20	8	numerical	numerical	ADJ
eurjchem-2480	20	9	difficulties	difficulty	NOUN
eurjchem-2480	20	10	in	in	ADP
eurjchem-2480	20	11	density	density	NOUN
eurjchem-2480	20	12	functional	functional	ADJ
eurjchem-2480	20	13	theory	theory	NOUN
eurjchem-2480	20	14	(	(	PUNCT
eurjchem-2480	20	15	dft	dft	PROPN
eurjchem-2480	20	16	)	)	PUNCT
eurjchem-2480	20	17	to	to	PART
eurjchem-2480	20	18	quantitatively	quantitatively	ADV
eurjchem-2480	20	19	describe	describe	VERB
eurjchem-2480	20	20	the	the	DET
eurjchem-2480	20	21	effect	effect	NOUN
eurjchem-2480	20	22	of	of	ADP
eurjchem-2480	20	23	corre	corre	NOUN
eurjchem-2480	20	24	-	-	PUNCT
eurjchem-2480	20	25	lations	lation	NOUN
eurjchem-2480	20	26	.	.	PUNCT
eurjchem-2480	21	1	the	the	DET
eurjchem-2480	21	2	equations	equation	NOUN
eurjchem-2480	21	3	are	be	AUX
eurjchem-2480	21	4	non	non	ADJ
eurjchem-2480	21	5	-	-	ADJ
eurjchem-2480	21	6	linear	linear	ADJ
eurjchem-2480	21	7	integro	integro	ADJ
eurjchem-2480	21	8	-	-	PUNCT
eurjchem-2480	21	9	differential	differential	NOUN
eurjchem-2480	21	10	equations	equation	NOUN
eurjchem-2480	21	11	,	,	PUNCT
eurjchem-2480	21	12	and	and	CCONJ
eurjchem-2480	21	13	finding	find	VERB
eurjchem-2480	21	14	a	a	DET
eurjchem-2480	21	15	solution	solution	NOUN
eurjchem-2480	21	16	requires	require	VERB
eurjchem-2480	21	17	numerical	numerical	ADJ
eurjchem-2480	21	18	methods	method	NOUN
eurjchem-2480	21	19	.	.	PUNCT
eurjchem-2480	22	1	furthermore	furthermore	ADV
eurjchem-2480	22	2	,	,	PUNCT
eurjchem-2480	22	3	for	for	ADP
eurjchem-2480	22	4	example	example	NOUN
eurjchem-2480	22	5	,	,	PUNCT
eurjchem-2480	22	6	in	in	ADP
eurjchem-2480	22	7	explicitly	explicitly	ADV
eurjchem-2480	22	8	correlated	correlate	VERB
eurjchem-2480	22	9	electronic	electronic	ADJ
eurjchem-2480	22	10	structure	structure	NOUN
eurjchem-2480	22	11	theory	theory	NOUN
eurjchem-2480	22	12	,	,	PUNCT
eurjchem-2480	22	13	the	the	DET
eurjchem-2480	22	14	dependence	dependence	NOUN
eurjchem-2480	22	15	of	of	ADP
eurjchem-2480	22	16	the	the	DET
eurjchem-2480	22	17	wave	wave	NOUN
eurjchem-2480	22	18	function	function	NOUN
eurjchem-2480	22	19	on	on	ADP
eurjchem-2480	22	20	the	the	DET
eurjchem-2480	22	21	interelectronic	interelectronic	ADJ
eurjchem-2480	22	22	distance	distance	NOUN
eurjchem-2480	22	23	rij	rij	PROPN
eurjchem-2480	22	24	is	be	AUX
eurjchem-2480	22	25	built	build	VERB
eurjchem-2480	22	26	via	via	ADP
eurjchem-2480	22	27	the	the	DET
eurjchem-2480	22	28	correlation	correlation	NOUN
eurjchem-2480	22	29	factor	factor	NOUN
eurjchem-2480	22	30	f(rij	f(rij	NOUN
eurjchem-2480	22	31	)	)	PUNCT
eurjchem-2480	22	32	.	.	PUNCT
eurjchem-2480	23	1	in	in	ADP
eurjchem-2480	23	2	its	its	PRON
eurjchem-2480	23	3	development	development	NOUN
eurjchem-2480	23	4	,	,	PUNCT
eurjchem-2480	23	5	the	the	DET
eurjchem-2480	23	6	so	so	ADV
eurjchem-2480	23	7	-	-	PUNCT
eurjchem-2480	23	8	called	call	VERB
eurjchem-2480	23	9	r12	r12	PROPN
eurjchem-2480	23	10	theory	theory	NOUN
eurjchem-2480	23	11	is	be	AUX
eurjchem-2480	23	12	supposed	suppose	VERB
eurjchem-2480	23	13	simply	simply	ADV
eurjchem-2480	23	14	that	that	DET
eurjchem-2480	23	15	f(r12	f(r12	NOUN
eurjchem-2480	23	16	)	)	PUNCT
eurjchem-2480	23	17	=	=	SYM
eurjchem-2480	23	18	r12	r12	NOUN
eurjchem-2480	23	19	.	.	PUNCT
eurjchem-2480	24	1	in	in	ADP
eurjchem-2480	24	2	the	the	DET
eurjchem-2480	24	3	last	last	ADJ
eurjchem-2480	24	4	decade	decade	NOUN
eurjchem-2480	24	5	,	,	PUNCT
eurjchem-2480	24	6	the	the	DET
eurjchem-2480	24	7	use	use	NOUN
eurjchem-2480	24	8	of	of	ADP
eurjchem-2480	24	9	slater	slater	NOUN
eurjchem-2480	24	10	-	-	PUNCT
eurjchem-2480	24	11	type	type	NOUN
eurjchem-2480	24	12	geminal	geminal	ADJ
eurjchem-2480	24	13	f(r12	f(r12	NOUN
eurjchem-2480	24	14	)	)	PUNCT
eurjchem-2480	25	1	=	=	SYM
eurjchem-2480	25	2	-exp(-a	-exp(-a	PUNCT
eurjchem-2480	25	3	r12)/a	r12)/a	NOUN
eurjchem-2480	25	4	represents	represent	VERB
eurjchem-2480	25	5	the	the	DET
eurjchem-2480	25	6	main	main	ADJ
eurjchem-2480	25	7	stream	stream	NOUN
eurjchem-2480	25	8	.	.	PUNCT
eurjchem-2480	26	1	in	in	ADP
eurjchem-2480	26	2	the	the	DET
eurjchem-2480	26	3	products	product	NOUN
eurjchem-2480	26	4	of	of	ADP
eurjchem-2480	26	5	occupied	occupy	VERB
eurjchem-2480	26	6	hf	hf	NOUN
eurjchem-2480	26	7	orbitals	orbital	NOUN
eurjchem-2480	26	8	as	as	ADP
eurjchem-2480	26	9	f(r12)φiφj	f(r12)φiφj	PROPN
eurjchem-2480	26	10	,	,	PUNCT
eurjchem-2480	26	11	the	the	DET
eurjchem-2480	26	12	necessity	necessity	NOUN
eurjchem-2480	26	13	to	to	PART
eurjchem-2480	26	14	calculate	calculate	VERB
eurjchem-2480	26	15	the	the	DET
eurjchem-2480	26	16	threeand	threeand	NOUN
eurjchem-2480	26	17	four	four	NUM
eurjchem-2480	26	18	-	-	PUNCT
eurjchem-2480	26	19	electron	electron	NOUN
eurjchem-2480	26	20	integrals	integral	NOUN
eurjchem-2480	26	21	has	have	AUX
eurjchem-2480	26	22	arisen	arise	VERB
eurjchem-2480	26	23	resulting	result	VERB
eurjchem-2480	26	24	from	from	ADP
eurjchem-2480	26	25	the	the	DET
eurjchem-2480	26	26	coulomb	coulomb	NOUN
eurjchem-2480	26	27	and	and	CCONJ
eurjchem-2480	26	28	exchange	exchange	NOUN
eurjchem-2480	26	29	operators	operator	NOUN
eurjchem-2480	26	30	.	.	PUNCT
eurjchem-2480	27	1	the	the	DET
eurjchem-2480	27	2	coulomb	coulomb	NOUN
eurjchem-2480	27	3	interaction	interaction	NOUN
eurjchem-2480	27	4	between	between	ADP
eurjchem-2480	27	5	two	two	NUM
eurjchem-2480	27	6	charges	charge	NOUN
eurjchem-2480	27	7	in	in	ADP
eurjchem-2480	27	8	classical	classical	ADJ
eurjchem-2480	27	9	physics	physics	NOUN
eurjchem-2480	27	10	is	be	AUX
eurjchem-2480	27	11	q1q2r12	q1q2r12	NOUN
eurjchem-2480	27	12	-	-	PUNCT
eurjchem-2480	27	13	n	n	CCONJ
eurjchem-2480	27	14	,	,	PUNCT
eurjchem-2480	27	15	one	one	NUM
eurjchem-2480	27	16	of	of	ADP
eurjchem-2480	27	17	the	the	DET
eurjchem-2480	27	18	most	most	ADV
eurjchem-2480	27	19	important	important	ADJ
eurjchem-2480	27	20	fundamental	fundamental	ADJ
eurjchem-2480	27	21	interactions	interaction	NOUN
eurjchem-2480	27	22	in	in	ADP
eurjchem-2480	27	23	nature	nature	NOUN
eurjchem-2480	27	24	.	.	PUNCT
eurjchem-2480	28	1	the	the	DET
eurjchem-2480	28	2	power	power	NOUN
eurjchem-2480	28	3	'	'	CCONJ
eurjchem-2480	28	4	n	n	CCONJ
eurjchem-2480	28	5	'	'	PUNCT
eurjchem-2480	28	6	has	have	VERB
eurjchem-2480	28	7	the	the	DET
eurjchem-2480	28	8	rigorous	rigorous	ADJ
eurjchem-2480	28	9	value	value	NOUN
eurjchem-2480	28	10	2	2	NUM
eurjchem-2480	28	11	that	that	PRON
eurjchem-2480	28	12	describes	describe	VERB
eurjchem-2480	28	13	the	the	DET
eurjchem-2480	28	14	force	force	NOUN
eurjchem-2480	28	15	,	,	PUNCT
eurjchem-2480	28	16	while	while	SCONJ
eurjchem-2480	28	17	,	,	PUNCT
eurjchem-2480	28	18	as	as	ADP
eurjchem-2480	28	19	a	a	DET
eurjchem-2480	28	20	consequence	consequence	NOUN
eurjchem-2480	28	21	,	,	PUNCT
eurjchem-2480	28	22	the	the	DET
eurjchem-2480	28	23	value	value	NOUN
eurjchem-2480	28	24	n	n	NOUN
eurjchem-2480	28	25	=	=	SYM
eurjchem-2480	28	26	1	1	NUM
eurjchem-2480	28	27	describes	describe	VERB
eurjchem-2480	28	28	the	the	DET
eurjchem-2480	28	29	energy	energy	NOUN
eurjchem-2480	28	30	.	.	PUNCT
eurjchem-2480	29	1	for	for	ADP
eurjchem-2480	29	2	electron	electron	NOUN
eurjchem-2480	29	3	-	-	PUNCT
eurjchem-2480	29	4	electron	electron	NOUN
eurjchem-2480	29	5	interactions	interaction	NOUN
eurjchem-2480	29	6	,	,	PUNCT
eurjchem-2480	29	7	the	the	DET
eurjchem-2480	29	8	exact	exact	ADJ
eurjchem-2480	29	9	theory	theory	NOUN
eurjchem-2480	29	10	says	say	VERB
eurjchem-2480	29	11	that	that	SCONJ
eurjchem-2480	29	12	the	the	DET
eurjchem-2480	29	13	coulomb	coulomb	NOUN
eurjchem-2480	29	14	interaction	interaction	NOUN
eurjchem-2480	29	15	energy	energy	NOUN
eurjchem-2480	29	16	is	be	AUX
eurjchem-2480	29	17	represented	represent	VERB
eurjchem-2480	29	18	by	by	ADP
eurjchem-2480	29	19	the	the	DET
eurjchem-2480	29	20	two	two	NUM
eurjchem-2480	29	21	-	-	PUNCT
eurjchem-2480	29	22	electron	electron	NOUN
eurjchem-2480	29	23	energy	energy	NOUN
eurjchem-2480	29	24	operator	operator	NOUN
eurjchem-2480	29	25	r12−1	r12−1	NOUN
eurjchem-2480	29	26	.	.	PUNCT
eurjchem-2480	30	1	the	the	DET
eurjchem-2480	30	2	values	value	NOUN
eurjchem-2480	30	3	(	(	PUNCT
eurjchem-2480	30	4	n	n	X
eurjchem-2480	30	5	,	,	PUNCT
eurjchem-2480	30	6	m	m	NOUN
eurjchem-2480	30	7	)	)	PUNCT
eurjchem-2480	30	8	=	=	SYM
eurjchem-2480	30	9	(	(	PUNCT
eurjchem-2480	30	10	1	1	NUM
eurjchem-2480	30	11	,	,	PUNCT
eurjchem-2480	30	12	0	0	NUM
eurjchem-2480	30	13	)	)	PUNCT
eurjchem-2480	30	14	and	and	CCONJ
eurjchem-2480	30	15	(	(	PUNCT
eurjchem-2480	30	16	0	0	NUM
eurjchem-2480	30	17	,	,	PUNCT
eurjchem-2480	30	18	1	1	X
eurjchem-2480	30	19	)	)	PUNCT
eurjchem-2480	30	20	provide	provide	VERB
eurjchem-2480	30	21	the	the	DET
eurjchem-2480	30	22	leading	lead	VERB
eurjchem-2480	30	23	potential	potential	ADJ
eurjchem-2480	30	24	energy	energy	NOUN
eurjchem-2480	30	25	terms	term	NOUN
eurjchem-2480	30	26	,	,	PUNCT
eurjchem-2480	30	27	i.e.	i.e.	X
eurjchem-2480	30	28	,	,	PUNCT
eurjchem-2480	30	29	the	the	DET
eurjchem-2480	30	30	nuclear	nuclear	NOUN
eurjchem-2480	30	31	-	-	PUNCT
eurjchem-2480	30	32	electron	electron	NOUN
eurjchem-2480	30	33	attraction	attraction	NOUN
eurjchem-2480	30	34	integral	integral	ADJ
eurjchem-2480	30	35	,	,	PUNCT
eurjchem-2480	30	36	∫ρ(1)rc1	∫ρ(1)rc1	ADJ
eurjchem-2480	30	37	-	-	X
eurjchem-2480	30	38	1dr1	1dr1	NUM
eurjchem-2480	30	39	,	,	PUNCT
eurjchem-2480	30	40	for	for	ADP
eurjchem-2480	30	41	the	the	DET
eurjchem-2480	30	42	exact	exact	ADJ
eurjchem-2480	30	43	value	value	NOUN
eurjchem-2480	30	44	and	and	CCONJ
eurjchem-2480	30	45	the	the	DET
eurjchem-2480	30	46	electron	electron	NOUN
eurjchem-2480	30	47	-	-	PUNCT
eurjchem-2480	30	48	electron	electron	NOUN
eurjchem-2480	30	49	repulsion	repulsion	NOUN
eurjchem-2480	30	50	integral	integral	ADJ
eurjchem-2480	30	51	,	,	PUNCT
eurjchem-2480	30	52	½∫ρ(1)ρ(2)r12	½∫ρ(1)ρ(2)r12	ADJ
eurjchem-2480	30	53	-	-	PUNCT
eurjchem-2480	30	54	1dr1dr2	1dr1dr2	NUM
eurjchem-2480	30	55	,	,	PUNCT
eurjchem-2480	30	56	for	for	ADP
eurjchem-2480	30	57	approximate	approximate	ADJ
eurjchem-2480	30	58	value	value	NOUN
eurjchem-2480	30	59	in	in	ADP
eurjchem-2480	30	60	total	total	ADJ
eurjchem-2480	30	61	energy	energy	NOUN
eurjchem-2480	30	62	(	(	PUNCT
eurjchem-2480	30	63	in	in	ADP
eurjchem-2480	30	64	addition	addition	NOUN
eurjchem-2480	30	65	to	to	ADP
eurjchem-2480	30	66	the	the	DET
eurjchem-2480	30	67	kinetic	kinetic	ADJ
eurjchem-2480	30	68	and	and	CCONJ
eurjchem-2480	30	69	nuclearnuclear	nuclearnuclear	NOUN
eurjchem-2480	30	70	repulsion	repulsion	NOUN
eurjchem-2480	30	71	energies	energy	NOUN
eurjchem-2480	30	72	)	)	PUNCT
eurjchem-2480	30	73	in	in	ADP
eurjchem-2480	30	74	dft	dft	PROPN
eurjchem-2480	31	1	[	[	X
eurjchem-2480	31	2	1	1	NUM
eurjchem-2480	31	3	-	-	SYM
eurjchem-2480	31	4	4	4	NUM
eurjchem-2480	31	5	]	]	PUNCT
eurjchem-2480	31	6	,	,	PUNCT
eurjchem-2480	31	7	and	and	CCONJ
eurjchem-2480	31	8	analogously	analogously	ADV
eurjchem-2480	31	9	,	,	PUNCT
eurjchem-2480	31	10	which	which	PRON
eurjchem-2480	31	11	come	come	VERB
eurjchem-2480	31	12	before	before	ADV
eurjchem-2480	31	13	,	,	PUNCT
eurjchem-2480	31	14	with	with	ADP
eurjchem-2480	31	15	single	single	ADJ
eurjchem-2480	31	16	slater	slater	NOUN
eurjchem-2480	31	17	determinant(s	determinant(s	PROPN
eurjchem-2480	31	18	)	)	PUNCT
eurjchem-2480	31	19	in	in	ADP
eurjchem-2480	31	20	hartree	hartree	ADJ
eurjchem-2480	31	21	-	-	PUNCT
eurjchem-2480	31	22	fock	fock	ADJ
eurjchem-2480	31	23	self	self	NOUN
eurjchem-2480	31	24	-	-	PUNCT
eurjchem-2480	31	25	consistent	consistent	ADJ
eurjchem-2480	31	26	field	field	NOUN
eurjchem-2480	31	27	(	(	PUNCT
eurjchem-2480	31	28	hf	hf	NOUN
eurjchem-2480	31	29	-	-	PUNCT
eurjchem-2480	31	30	scf	scf	NOUN
eurjchem-2480	31	31	)	)	PUNCT
eurjchem-2480	31	32	and	and	CCONJ
eurjchem-2480	31	33	configuration	configuration	NOUN
eurjchem-2480	31	34	interactions	interaction	NOUN
eurjchem-2480	31	35	(	(	PUNCT
eurjchem-2480	31	36	ci	ci	NOUN
eurjchem-2480	31	37	)	)	PUNCT
eurjchem-2480	31	38	[	[	X
eurjchem-2480	31	39	5	5	X
eurjchem-2480	31	40	]	]	PUNCT
eurjchem-2480	31	41	theory	theory	NOUN
eurjchem-2480	31	42	.	.	PUNCT
eurjchem-2480	32	1	clearly	clearly	ADV
eurjchem-2480	32	2	,	,	PUNCT
eurjchem-2480	32	3	these	these	DET
eurjchem-2480	32	4	two	two	NUM
eurjchem-2480	32	5	are	be	AUX
eurjchem-2480	32	6	called	call	VERB
eurjchem-2480	32	7	coulomb	coulomb	NOUN
eurjchem-2480	32	8	integrals	integral	NOUN
eurjchem-2480	32	9	.	.	PUNCT
eurjchem-2480	33	1	the	the	DET
eurjchem-2480	33	2	other	other	ADJ
eurjchem-2480	33	3	(	(	PUNCT
eurjchem-2480	33	4	n	n	X
eurjchem-2480	33	5	,	,	PUNCT
eurjchem-2480	33	6	m	m	NOUN
eurjchem-2480	33	7	)	)	PUNCT
eurjchem-2480	33	8	values	value	NOUN
eurjchem-2480	33	9	are	be	AUX
eurjchem-2480	33	10	useful	useful	ADJ
eurjchem-2480	33	11	as	as	ADP
eurjchem-2480	33	12	correction	correction	NOUN
eurjchem-2480	33	13	values	value	NOUN
eurjchem-2480	33	14	,	,	PUNCT
eurjchem-2480	33	15	e.g.	e.g.	ADV
eurjchem-2480	33	16	,	,	PUNCT
eurjchem-2480	33	17	in	in	ADP
eurjchem-2480	33	18	correlation	correlation	NOUN
eurjchem-2480	33	19	calculations	calculation	NOUN
eurjchem-2480	33	20	(	(	PUNCT
eurjchem-2480	33	21	cc	cc	NOUN
eurjchem-2480	33	22	)	)	PUNCT
eurjchem-2480	33	23	.	.	PUNCT
eurjchem-2480	34	1	using	use	VERB
eurjchem-2480	34	2	the	the	DET
eurjchem-2480	34	3	primitive	primitive	ADJ
eurjchem-2480	34	4	gaussian	gaussian	ADJ
eurjchem-2480	34	5	type	type	NOUN
eurjchem-2480	34	6	atomic	atomic	ADJ
eurjchem-2480	34	7	orbital	orbital	NOUN
eurjchem-2480	34	8	(	(	PUNCT
eurjchem-2480	34	9	gto	gto	PROPN
eurjchem-2480	34	10	)	)	PUNCT
eurjchem-2480	34	11	functions	function	NOUN
eurjchem-2480	34	12	from	from	ADP
eurjchem-2480	34	13	gai(a	gai(a	PROPN
eurjchem-2480	34	14	,	,	PUNCT
eurjchem-2480	34	15	nx	nx	PROPN
eurjchem-2480	34	16	,	,	PUNCT
eurjchem-2480	34	17	ny	ny	PROPN
eurjchem-2480	34	18	,	,	PUNCT
eurjchem-2480	34	19	nz	nz	PROPN
eurjchem-2480	34	20	)	)	PUNCT
eurjchem-2480	34	21	≡	≡	PROPN
eurjchem-2480	34	22	(	(	PUNCT
eurjchem-2480	34	23	xi	xi	NOUN
eurjchem-2480	34	24	-	-	PUNCT
eurjchem-2480	34	25	rax)nx	rax)nx	NOUN
eurjchem-2480	34	26	(	(	PUNCT
eurjchem-2480	34	27	yi	yi	PROPN
eurjchem-2480	34	28	-	-	PUNCT
eurjchem-2480	34	29	ray)ny	ray)ny	PROPN
eurjchem-2480	34	30	(	(	PUNCT
eurjchem-2480	34	31	zi	zi	NOUN
eurjchem-2480	34	32	-	-	NOUN
eurjchem-2480	34	33	raz)nz	raz)nz	ADJ
eurjchem-2480	34	34	exp(-a|ri	exp(-a|ri	ADJ
eurjchem-2480	34	35	-	-	PUNCT
eurjchem-2480	34	36	ra|2	ra|2	NOUN
eurjchem-2480	34	37	)	)	PUNCT
eurjchem-2480	34	38	(	(	PUNCT
eurjchem-2480	34	39	1	1	X
eurjchem-2480	34	40	)	)	PUNCT
eurjchem-2480	34	41	n	n	NOUN
eurjchem-2480	34	42	=	=	SYM
eurjchem-2480	34	43	2	2	NUM
eurjchem-2480	34	44	is	be	AUX
eurjchem-2480	34	45	called	call	VERB
eurjchem-2480	34	46	gto	gto	PROPN
eurjchem-2480	34	47	,	,	PUNCT
eurjchem-2480	34	48	n	n	NOUN
eurjchem-2480	34	49	=	=	SYM
eurjchem-2480	34	50	1	1	NUM
eurjchem-2480	34	51	is	be	AUX
eurjchem-2480	34	52	called	call	VERB
eurjchem-2480	34	53	slater	slater	NOUN
eurjchem-2480	34	54	type	type	NOUN
eurjchem-2480	34	55	atomic	atomic	ADJ
eurjchem-2480	34	56	orbital	orbital	NOUN
eurjchem-2480	34	57	(	(	PUNCT
eurjchem-2480	34	58	sto	sto	ADJ
eurjchem-2480	34	59	)	)	PUNCT
eurjchem-2480	34	60	abstract	abstract	ADJ
eurjchem-2480	34	61	research	research	NOUN
eurjchem-2480	34	62	article	article	NOUN
eurjchem-2480	34	63	keywords	keyword	VERB
eurjchem-2480	34	64	https://dx.doi.org/10.5155/eurjchem.14.4.486-493.2480	https://dx.doi.org/10.5155/eurjchem.14.4.486-493.2480	PROPN
eurjchem-2480	34	65	https://www.eurjchem.com/	https://www.eurjchem.com/	ADJ
eurjchem-2480	34	66	https://dx.doi.org/10.5155/eurjchem.14.4.486-493.2480	https://dx.doi.org/10.5155/eurjchem.14.4.486-493.2480	PROPN
eurjchem-2480	34	67	mailto:kristyan.sandor@ttk.mta.hu	mailto:kristyan.sandor@ttk.mta.hu	PART
eurjchem-2480	35	1	http://www.eurjchem.com/	http://www.eurjchem.com/	PROPN
eurjchem-2480	35	2	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.14.4.486-493.2480&domain=pdf&date_stamp=2023-12-31	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.14.4.486-493.2480&domain=pdf&date_stamp=2023-12-31	NOUN
eurjchem-2480	35	3	sandor	sandor	PROPN
eurjchem-2480	35	4	kristyan	kristyan	PROPN
eurjchem-2480	35	5	/	/	SYM
eurjchem-2480	35	6	european	european	PROPN
eurjchem-2480	35	7	journal	journal	PROPN
eurjchem-2480	35	8	of	of	ADP
eurjchem-2480	35	9	chemistry	chemistry	NOUN
eurjchem-2480	35	10	14	14	NUM
eurjchem-2480	35	11	(	(	PUNCT
eurjchem-2480	35	12	4	4	NUM
eurjchem-2480	35	13	)	)	PUNCT
eurjchem-2480	35	14	(	(	PUNCT
eurjchem-2480	35	15	2023	2023	NUM
eurjchem-2480	35	16	)	)	PUNCT
eurjchem-2480	35	17	486	486	NUM
eurjchem-2480	35	18	-	-	SYM
eurjchem-2480	35	19	493	493	NUM
eurjchem-2480	35	20	487	487	NUM
eurjchem-2480	35	21	2023	2023	NUM
eurjchem-2480	35	22	–	–	PUNCT
eurjchem-2480	35	23	european	european	ADJ
eurjchem-2480	35	24	journal	journal	NOUN
eurjchem-2480	35	25	of	of	ADP
eurjchem-2480	35	26	chemistry	chemistry	NOUN
eurjchem-2480	35	27	–	–	PUNCT
eurjchem-2480	35	28	cc	cc	NOUN
eurjchem-2480	35	29	by	by	ADP
eurjchem-2480	35	30	nc	nc	PROPN
eurjchem-2480	35	31	–	–	PUNCT
eurjchem-2480	35	32	doi	doi	PROPN
eurjchem-2480	35	33	:	:	PUNCT
eurjchem-2480	35	34	10.5155	10.5155	NUM
eurjchem-2480	35	35	/	/	SYM
eurjchem-2480	35	36	eurjchem.14.4.486	eurjchem.14.4.486	NUM
eurjchem-2480	35	37	-	-	PUNCT
eurjchem-2480	35	38	493.2480	493.2480	PROPN
eurjchem-2480	35	39	with	with	ADP
eurjchem-2480	35	40	a	a	DET
eurjchem-2480	35	41	>	>	X
eurjchem-2480	35	42	0	0	NUM
eurjchem-2480	35	43	and	and	CCONJ
eurjchem-2480	35	44	nx	nx	NUM
eurjchem-2480	35	45	,	,	PUNCT
eurjchem-2480	35	46	ny	ny	PROPN
eurjchem-2480	35	47	,	,	PUNCT
eurjchem-2480	35	48	nz	nz	X
eurjchem-2480	35	49	≥	≥	NOUN
eurjchem-2480	35	50	0	0	NUM
eurjchem-2480	35	51	benefits	benefit	VERB
eurjchem-2480	35	52	the	the	DET
eurjchem-2480	35	53	important	important	ADJ
eurjchem-2480	35	54	property	property	NOUN
eurjchem-2480	35	55	such	such	ADJ
eurjchem-2480	35	56	as	as	ADP
eurjchem-2480	35	57	gaigbi	gaigbi	PROPN
eurjchem-2480	35	58	is	be	AUX
eurjchem-2480	35	59	also	also	ADV
eurjchem-2480	35	60	the	the	DET
eurjchem-2480	35	61	(	(	PUNCT
eurjchem-2480	35	62	a	a	DET
eurjchem-2480	35	63	sum	sum	NOUN
eurjchem-2480	35	64	of	of	ADP
eurjchem-2480	35	65	)	)	PUNCT
eurjchem-2480	35	66	gto	gto	PROPN
eurjchem-2480	35	67	,	,	PUNCT
eurjchem-2480	35	68	even	even	ADV
eurjchem-2480	35	69	more	more	ADJ
eurjchem-2480	35	70	,	,	PUNCT
eurjchem-2480	35	71	its	its	PRON
eurjchem-2480	35	72	derivatives	derivative	NOUN
eurjchem-2480	35	73	also	also	ADV
eurjchem-2480	35	74	preserve	preserve	VERB
eurjchem-2480	35	75	the	the	DET
eurjchem-2480	35	76	form	form	NOUN
eurjchem-2480	35	77	as	as	ADP
eurjchem-2480	35	78	a	a	DET
eurjchem-2480	35	79	sum	sum	NOUN
eurjchem-2480	35	80	of	of	ADP
eurjchem-2480	35	81	gto	gto	PROPN
eurjchem-2480	35	82	.	.	PUNCT
eurjchem-2480	36	1	we	we	PRON
eurjchem-2480	36	2	use	use	VERB
eurjchem-2480	36	3	the	the	DET
eurjchem-2480	36	4	shorthand	shorthand	NOUN
eurjchem-2480	36	5	notation	notation	NOUN
eurjchem-2480	36	6	for	for	ADP
eurjchem-2480	36	7	the	the	DET
eurjchem-2480	36	8	energy	energy	NOUN
eurjchem-2480	36	9	operator	operator	NOUN
eurjchem-2480	36	10	(	(	PUNCT
eurjchem-2480	36	11	or	or	CCONJ
eurjchem-2480	36	12	distance	distance	NOUN
eurjchem-2480	36	13	operator	operator	NOUN
eurjchem-2480	36	14	,	,	PUNCT
eurjchem-2480	36	15	or	or	CCONJ
eurjchem-2480	36	16	weights	weight	NOUN
eurjchem-2480	36	17	)	)	PUNCT
eurjchem-2480	36	18	mostly	mostly	ADV
eurjchem-2480	36	19	in	in	ADP
eurjchem-2480	36	20	the	the	DET
eurjchem-2480	36	21	discussion	discussion	NOUN
eurjchem-2480	36	22	of	of	ADP
eurjchem-2480	36	23	numerical	numerical	ADJ
eurjchem-2480	36	24	integration	integration	NOUN
eurjchem-2480	36	25	as	as	ADP
eurjchem-2480	36	26	w(1)≡	w(1)≡	ADJ
eurjchem-2480	36	27	rc1	rc1	NOUN
eurjchem-2480	36	28	-	-	PUNCT
eurjchem-2480	36	29	n	n	NOUN
eurjchem-2480	36	30	or	or	CCONJ
eurjchem-2480	36	31	rc1	rc1	NOUN
eurjchem-2480	36	32	-	-	PUNCT
eurjchem-2480	36	33	nrd1	nrd1	NOUN
eurjchem-2480	36	34	-	-	PUNCT
eurjchem-2480	36	35	m	m	PROPN
eurjchem-2480	36	36	,	,	PUNCT
eurjchem-2480	36	37	w(1,2)≡	w(1,2)≡	PROPN
eurjchem-2480	36	38	rc1	rc1	PROPN
eurjchem-2480	36	39	-	-	PUNCT
eurjchem-2480	36	40	nr12	nr12	PROPN
eurjchem-2480	36	41	-	-	PUNCT
eurjchem-2480	36	42	m	m	PROPN
eurjchem-2480	36	43	or	or	CCONJ
eurjchem-2480	36	44	r12	r12	ADJ
eurjchem-2480	36	45	-	-	PUNCT
eurjchem-2480	36	46	m	m	PROPN
eurjchem-2480	36	47	,	,	PUNCT
eurjchem-2480	36	48	w(1,2,3)≡	w(1,2,3)≡	PROPN
eurjchem-2480	36	49	r12	r12	PROPN
eurjchem-2480	36	50	-	-	PUNCT
eurjchem-2480	36	51	nr13	nr13	PROPN
eurjchem-2480	36	52	-	-	PUNCT
eurjchem-2480	36	53	m	m	PROPN
eurjchem-2480	36	54	or	or	CCONJ
eurjchem-2480	36	55	rc1	rc1	PROPN
eurjchem-2480	36	56	-	-	PUNCT
eurjchem-2480	36	57	nr23	nr23	PROPN
eurjchem-2480	36	58	-	-	PUNCT
eurjchem-2480	36	59	n	n	NOUN
eurjchem-2480	36	60	,	,	PUNCT
eurjchem-2480	36	61	etc	etc	X
eurjchem-2480	36	62	.	.	X
eurjchem-2480	37	1	(	(	PUNCT
eurjchem-2480	37	2	2	2	X
eurjchem-2480	37	3	)	)	PUNCT
eurjchem-2480	37	4	notice	notice	NOUN
eurjchem-2480	37	5	that	that	SCONJ
eurjchem-2480	37	6	equation	equation	NOUN
eurjchem-2480	37	7	2	2	NUM
eurjchem-2480	37	8	is	be	AUX
eurjchem-2480	37	9	(	(	PUNCT
eurjchem-2480	37	10	n	n	X
eurjchem-2480	37	11	,	,	PUNCT
eurjchem-2480	37	12	m	m	NOUN
eurjchem-2480	37	13	)	)	PUNCT
eurjchem-2480	37	14	dependent	dependent	ADJ
eurjchem-2480	37	15	but	but	CCONJ
eurjchem-2480	37	16	not	not	PART
eurjchem-2480	37	17	indicated	indicate	VERB
eurjchem-2480	37	18	,	,	PUNCT
eurjchem-2480	37	19	but	but	CCONJ
eurjchem-2480	37	20	must	must	AUX
eurjchem-2480	37	21	always	always	ADV
eurjchem-2480	37	22	be	be	AUX
eurjchem-2480	37	23	kept	keep	VERB
eurjchem-2480	37	24	in	in	ADP
eurjchem-2480	37	25	mind	mind	NOUN
eurjchem-2480	37	26	.	.	PUNCT
eurjchem-2480	38	1	the	the	DET
eurjchem-2480	38	2	coulomb	coulomb	NOUN
eurjchem-2480	38	3	interaction	interaction	NOUN
eurjchem-2480	38	4	energy	energy	NOUN
eurjchem-2480	38	5	for	for	ADP
eurjchem-2480	38	6	molecular	molecular	ADJ
eurjchem-2480	38	7	systems	system	NOUN
eurjchem-2480	38	8	is	be	AUX
eurjchem-2480	38	9	finally	finally	ADV
eurjchem-2480	38	10	expressed	express	VERB
eurjchem-2480	38	11	with	with	ADP
eurjchem-2480	38	12	the	the	DET
eurjchem-2480	38	13	linear	linear	ADJ
eurjchem-2480	38	14	combination	combination	NOUN
eurjchem-2480	38	15	(	(	PUNCT
eurjchem-2480	38	16	lc	lc	NOUN
eurjchem-2480	38	17	)	)	PUNCT
eurjchem-2480	38	18	of	of	ADP
eurjchem-2480	38	19	∫ga1rc1	∫ga1rc1	PROPN
eurjchem-2480	38	20	-	-	PROPN
eurjchem-2480	38	21	1dr1	1dr1	NUM
eurjchem-2480	38	22	(	(	PUNCT
eurjchem-2480	38	23	an	an	DET
eurjchem-2480	38	24	∫ga1w(1)dr1	∫ga1w(1)dr1	X
eurjchem-2480	38	25	type	type	NOUN
eurjchem-2480	38	26	)	)	PUNCT
eurjchem-2480	38	27	or	or	CCONJ
eurjchem-2480	38	28	∫ga1gb2r12	∫ga1gb2r12	NUM
eurjchem-2480	38	29	-	-	SYM
eurjchem-2480	38	30	2dr1dr2	2dr1dr2	NUM
eurjchem-2480	38	31	(	(	PUNCT
eurjchem-2480	38	32	an	an	DET
eurjchem-2480	38	33	∫ga1gb2w(1,2)dr1dr2	∫ga1gb2w(1,2)dr1dr2	PROPN
eurjchem-2480	38	34	type	type	NOUN
eurjchem-2480	38	35	)	)	PUNCT
eurjchem-2480	38	36	.	.	PUNCT
eurjchem-2480	39	1	their	their	PRON
eurjchem-2480	39	2	analytical	analytical	ADJ
eurjchem-2480	39	3	evaluation	evaluation	NOUN
eurjchem-2480	39	4	[	[	X
eurjchem-2480	39	5	1,2,5	1,2,5	NUM
eurjchem-2480	39	6	]	]	X
eurjchem-2480	39	7	is	be	AUX
eurjchem-2480	39	8	fundamental	fundamental	ADJ
eurjchem-2480	39	9	in	in	ADP
eurjchem-2480	39	10	computation	computation	NOUN
eurjchem-2480	39	11	chemistry	chemistry	NOUN
eurjchem-2480	39	12	.	.	PUNCT
eurjchem-2480	40	1	in	in	ADP
eurjchem-2480	40	2	the	the	DET
eurjchem-2480	40	3	approximate	approximate	ADJ
eurjchem-2480	40	4	solution	solution	NOUN
eurjchem-2480	40	5	of	of	ADP
eurjchem-2480	40	6	the	the	DET
eurjchem-2480	40	7	electronic	electronic	ADJ
eurjchem-2480	40	8	schrödinger	schrödinger	ADJ
eurjchem-2480	40	9	equation	equation	NOUN
eurjchem-2480	40	10	,	,	PUNCT
eurjchem-2480	40	11	such	such	ADJ
eurjchem-2480	40	12	as	as	ADP
eurjchem-2480	40	13	hf	hf	PROPN
eurjchem-2480	40	14	-	-	PUNCT
eurjchem-2480	40	15	scf	scf	PROPN
eurjchem-2480	40	16	and	and	CCONJ
eurjchem-2480	40	17	dft	dft	PROPN
eurjchem-2480	40	18	,	,	PUNCT
eurjchem-2480	40	19	etc	etc	X
eurjchem-2480	40	20	.	.	X
eurjchem-2480	40	21	,	,	PUNCT
eurjchem-2480	40	22	cc	cc	PROPN
eurjchem-2480	40	23	is	be	AUX
eurjchem-2480	40	24	necessary	necessary	ADJ
eurjchem-2480	40	25	,	,	PUNCT
eurjchem-2480	40	26	as	as	SCONJ
eurjchem-2480	40	27	are	be	AUX
eurjchem-2480	40	28	many	many	ADJ
eurjchem-2480	40	29	other	other	ADJ
eurjchem-2480	40	30	devices	device	NOUN
eurjchem-2480	40	31	;	;	PUNCT
eurjchem-2480	40	32	for	for	ADP
eurjchem-2480	40	33	example	example	NOUN
eurjchem-2480	40	34	,	,	PUNCT
eurjchem-2480	40	35	the	the	DET
eurjchem-2480	40	36	integrals	integral	NOUN
eurjchem-2480	40	37	,	,	PUNCT
eurjchem-2480	40	38	∫ga1	∫ga1	PROPN
eurjchem-2480	40	39	gb2	gb2	PROPN
eurjchem-2480	40	40	gc3r12	gc3r12	PROPN
eurjchem-2480	40	41	-	-	PUNCT
eurjchem-2480	40	42	n	n	CCONJ
eurjchem-2480	40	43	r13	r13	NOUN
eurjchem-2480	40	44	-	-	PUNCT
eurjchem-2480	40	45	mdr1dr2dr3	mdr1dr2dr3	NOUN
eurjchem-2480	40	46	(	(	PUNCT
eurjchem-2480	40	47	an	an	DET
eurjchem-2480	40	48	∫ga1	∫ga1	NOUN
eurjchem-2480	40	49	gb2	gb2	PROPN
eurjchem-2480	40	50	gc3	gc3	PROPN
eurjchem-2480	40	51	w(1,2,3	w(1,2,3	PROPN
eurjchem-2480	40	52	)	)	PUNCT
eurjchem-2480	40	53	dr1dr2dr3	dr1dr2dr3	PROPN
eurjchem-2480	40	54	type	type	NOUN
eurjchem-2480	40	55	)	)	PUNCT
eurjchem-2480	40	56	,	,	PUNCT
eurjchem-2480	40	57	come	come	VERB
eurjchem-2480	40	58	up	up	ADP
eurjchem-2480	40	59	.	.	PUNCT
eurjchem-2480	41	1	only	only	ADV
eurjchem-2480	41	2	approximate	approximate	ADJ
eurjchem-2480	41	3	numerical	numerical	ADJ
eurjchem-2480	41	4	expressions	expression	NOUN
eurjchem-2480	41	5	are	be	AUX
eurjchem-2480	41	6	available	available	ADJ
eurjchem-2480	41	7	to	to	PART
eurjchem-2480	41	8	evaluate	evaluate	VERB
eurjchem-2480	41	9	the	the	DET
eurjchem-2480	41	10	latter	latter	ADJ
eurjchem-2480	41	11	;	;	PUNCT
eurjchem-2480	41	12	see	see	VERB
eurjchem-2480	41	13	,	,	PUNCT
eurjchem-2480	41	14	e.g.	e.g.	ADV
eurjchem-2480	41	15	,	,	PUNCT
eurjchem-2480	41	16	equation	equation	NOUN
eurjchem-2480	41	17	52	52	NUM
eurjchem-2480	41	18	in	in	ADP
eurjchem-2480	41	19	reference	reference	NOUN
eurjchem-2480	41	20	[	[	X
eurjchem-2480	41	21	6	6	NUM
eurjchem-2480	41	22	]	]	PUNCT
eurjchem-2480	41	23	as	as	ADP
eurjchem-2480	41	24	<	<	X
eurjchem-2480	41	25	ijm|r12	ijm|r12	ADJ
eurjchem-2480	41	26	-	-	PUNCT
eurjchem-2480	41	27	1r13	1r13	NUM
eurjchem-2480	41	28	-	-	SYM
eurjchem-2480	41	29	1|kml	1|kml	NUM
eurjchem-2480	41	30	>	>	X
eurjchem-2480	42	1	≈	≈	PROPN
eurjchem-2480	42	2	∑p	∑p	PROPN
eurjchem-2480	42	3	<	<	X
eurjchem-2480	42	4	ij|r121|pm><pm|r12	ij|r121|pm><pm|r12	PROPN
eurjchem-2480	42	5	-	-	PUNCT
eurjchem-2480	42	6	1|kl	1|kl	PROPN
eurjchem-2480	42	7	>	>	X
eurjchem-2480	42	8	,	,	PUNCT
eurjchem-2480	42	9	where	where	SCONJ
eurjchem-2480	42	10	as	as	ADP
eurjchem-2480	42	11	an	an	DET
eurjchem-2480	42	12	alternative	alternative	NOUN
eurjchem-2480	42	13	,	,	PUNCT
eurjchem-2480	42	14	the	the	DET
eurjchem-2480	42	15	bracket	bracket	NOUN
eurjchem-2480	42	16	notation	notation	NOUN
eurjchem-2480	42	17	[	[	X
eurjchem-2480	42	18	1,5	1,5	NUM
eurjchem-2480	42	19	]	]	PUNCT
eurjchem-2480	42	20	is	be	AUX
eurjchem-2480	42	21	used	use	VERB
eurjchem-2480	42	22	.	.	PUNCT
eurjchem-2480	43	1	if	if	SCONJ
eurjchem-2480	43	2	derivatives	derivative	NOUN
eurjchem-2480	43	3	appear	appear	VERB
eurjchem-2480	43	4	,	,	PUNCT
eurjchem-2480	43	5	such	such	ADJ
eurjchem-2480	43	6	as	as	ADP
eurjchem-2480	43	7	∫(∂ρ(1)/∂x1)prc1	∫(∂ρ(1)/∂x1)prc1	NOUN
eurjchem-2480	43	8	-	-	ADJ
eurjchem-2480	43	9	ndr1	ndr1	ADJ
eurjchem-2480	43	10	,	,	PUNCT
eurjchem-2480	43	11	∫(∂ρ(1)/∂x1)pρ(2)q	∫(∂ρ(1)/∂x1)pρ(2)q	ADJ
eurjchem-2480	43	12	r12	r12	NOUN
eurjchem-2480	43	13	-	-	PUNCT
eurjchem-2480	43	14	ndr1dr2	ndr1dr2	PROPN
eurjchem-2480	43	15	,	,	PUNCT
eurjchem-2480	43	16	etc	etc	X
eurjchem-2480	43	17	.	.	X
eurjchem-2480	43	18	,	,	PUNCT
eurjchem-2480	43	19	and	and	CCONJ
eurjchem-2480	43	20	ρ	ρ	NOUN
eurjchem-2480	43	21	is	be	AUX
eurjchem-2480	43	22	given	give	VERB
eurjchem-2480	43	23	as	as	ADP
eurjchem-2480	43	24	the	the	DET
eurjchem-2480	43	25	linear	linear	ADJ
eurjchem-2480	43	26	combination	combination	NOUN
eurjchem-2480	43	27	(	(	PUNCT
eurjchem-2480	43	28	lc	lc	NOUN
eurjchem-2480	43	29	)	)	PUNCT
eurjchem-2480	43	30	of	of	ADP
eurjchem-2480	43	31	gto	gto	PROPN
eurjchem-2480	43	32	[	[	X
eurjchem-2480	43	33	1,2,7	1,2,7	NUM
eurjchem-2480	43	34	]	]	X
eurjchem-2480	43	35	,	,	PUNCT
eurjchem-2480	43	36	analytical	analytical	ADJ
eurjchem-2480	43	37	evaluation	evaluation	NOUN
eurjchem-2480	43	38	is	be	AUX
eurjchem-2480	43	39	also	also	ADV
eurjchem-2480	43	40	available	available	ADJ
eurjchem-2480	43	41	in	in	ADP
eurjchem-2480	43	42	these	these	DET
eurjchem-2480	43	43	cases	case	NOUN
eurjchem-2480	43	44	.	.	PUNCT
eurjchem-2480	44	1	while	while	SCONJ
eurjchem-2480	44	2	the	the	DET
eurjchem-2480	44	3	products	product	NOUN
eurjchem-2480	44	4	and	and	CCONJ
eurjchem-2480	44	5	derivatives	derivative	NOUN
eurjchem-2480	44	6	of	of	ADP
eurjchem-2480	44	7	gto	gto	PROPN
eurjchem-2480	44	8	functions	function	NOUN
eurjchem-2480	44	9	are	be	AUX
eurjchem-2480	44	10	of	of	ADP
eurjchem-2480	44	11	gto	gto	NOUN
eurjchem-2480	44	12	type	type	NOUN
eurjchem-2480	44	13	and	and	CCONJ
eurjchem-2480	44	14	analytical	analytical	ADJ
eurjchem-2480	44	15	(	(	PUNCT
eurjchem-2480	44	16	and	and	CCONJ
eurjchem-2480	44	17	numerical	numerical	ADJ
eurjchem-2480	44	18	)	)	PUNCT
eurjchem-2480	44	19	integration	integration	NOUN
eurjchem-2480	44	20	is	be	AUX
eurjchem-2480	44	21	available	available	ADJ
eurjchem-2480	44	22	,	,	PUNCT
eurjchem-2480	44	23	the	the	DET
eurjchem-2480	44	24	products	product	NOUN
eurjchem-2480	44	25	and	and	CCONJ
eurjchem-2480	44	26	derivatives	derivative	NOUN
eurjchem-2480	44	27	of	of	ADP
eurjchem-2480	44	28	sto	sto	NOUN
eurjchem-2480	44	29	functions	function	NOUN
eurjchem-2480	44	30	are	be	AUX
eurjchem-2480	44	31	not	not	PART
eurjchem-2480	44	32	of	of	ADP
eurjchem-2480	44	33	sto	sto	ADJ
eurjchem-2480	44	34	type	type	NOUN
eurjchem-2480	44	35	and	and	CCONJ
eurjchem-2480	44	36	only	only	ADV
eurjchem-2480	44	37	numerical	numerical	ADJ
eurjchem-2480	44	38	integration	integration	NOUN
eurjchem-2480	44	39	is	be	AUX
eurjchem-2480	44	40	available	available	ADJ
eurjchem-2480	44	41	.	.	PUNCT
eurjchem-2480	45	1	in	in	ADP
eurjchem-2480	45	2	this	this	DET
eurjchem-2480	45	3	relation	relation	NOUN
eurjchem-2480	45	4	,	,	PUNCT
eurjchem-2480	45	5	we	we	PRON
eurjchem-2480	45	6	mention	mention	VERB
eurjchem-2480	45	7	the	the	DET
eurjchem-2480	45	8	widely	widely	ADV
eurjchem-2480	45	9	used	use	VERB
eurjchem-2480	45	10	devices	device	NOUN
eurjchem-2480	45	11	,	,	PUNCT
eurjchem-2480	45	12	such	such	ADJ
eurjchem-2480	45	13	as	as	ADP
eurjchem-2480	45	14	sto	sto	ADJ
eurjchem-2480	45	15	functions	function	NOUN
eurjchem-2480	45	16	(	(	PUNCT
eurjchem-2480	45	17	powerful	powerful	ADJ
eurjchem-2480	45	18	in	in	ADP
eurjchem-2480	45	19	computational	computational	ADJ
eurjchem-2480	45	20	quantum	quantum	ADJ
eurjchem-2480	45	21	chemistry	chemistry	NOUN
eurjchem-2480	45	22	(	(	PUNCT
eurjchem-2480	45	23	cqc	cqc	PROPN
eurjchem-2480	45	24	)	)	PUNCT
eurjchem-2480	45	25	)	)	PUNCT
eurjchem-2480	45	26	that	that	PRON
eurjchem-2480	45	27	are	be	AUX
eurjchem-2480	45	28	expanded	expand	VERB
eurjchem-2480	45	29	to	to	ADP
eurjchem-2480	45	30	lc	lc	PROPN
eurjchem-2480	45	31	of	of	ADP
eurjchem-2480	45	32	3	3	NUM
eurjchem-2480	45	33	,	,	PUNCT
eurjchem-2480	45	34	6	6	NUM
eurjchem-2480	45	35	,	,	PUNCT
eurjchem-2480	45	36	etc	etc	X
eurjchem-2480	45	37	.	.	X
eurjchem-2480	45	38	gto	gto	NOUN
eurjchem-2480	45	39	functions	function	NOUN
eurjchem-2480	45	40	(	(	PUNCT
eurjchem-2480	45	41	less	less	ADV
eurjchem-2480	45	42	powerful	powerful	ADJ
eurjchem-2480	45	43	than	than	ADP
eurjchem-2480	45	44	sto	sto	NOUN
eurjchem-2480	45	45	in	in	ADP
eurjchem-2480	45	46	cqc	cqc	PROPN
eurjchem-2480	45	47	)	)	PUNCT
eurjchem-2480	45	48	.	.	PUNCT
eurjchem-2480	46	1	besides	besides	SCONJ
eurjchem-2480	46	2	the	the	DET
eurjchem-2480	46	3	analytical	analytical	ADJ
eurjchem-2480	46	4	integration	integration	NOUN
eurjchem-2480	46	5	of	of	ADP
eurjchem-2480	46	6	cases	case	NOUN
eurjchem-2480	46	7	in	in	ADP
eurjchem-2480	46	8	the	the	DET
eurjchem-2480	46	9	main	main	ADJ
eurjchem-2480	46	10	title	title	NOUN
eurjchem-2480	46	11	,	,	PUNCT
eurjchem-2480	46	12	for	for	ADP
eurjchem-2480	46	13	their	their	PRON
eurjchem-2480	46	14	numerical	numerical	ADJ
eurjchem-2480	46	15	integration	integration	NOUN
eurjchem-2480	46	16	,	,	PUNCT
eurjchem-2480	46	17	we	we	PRON
eurjchem-2480	46	18	expand	expand	VERB
eurjchem-2480	46	19	the	the	DET
eurjchem-2480	46	20	powerful	powerful	ADJ
eurjchem-2480	46	21	numerical	numerical	ADJ
eurjchem-2480	46	22	integration	integration	NOUN
eurjchem-2480	46	23	scheme	scheme	NOUN
eurjchem-2480	46	24	for	for	ADP
eurjchem-2480	46	25	3	3	NUM
eurjchem-2480	46	26	dimensions	dimension	NOUN
eurjchem-2480	46	27	[	[	X
eurjchem-2480	46	28	8	8	NUM
eurjchem-2480	46	29	-	-	SYM
eurjchem-2480	46	30	11	11	NUM
eurjchem-2480	46	31	]	]	PUNCT
eurjchem-2480	46	32	widely	widely	ADV
eurjchem-2480	46	33	used	use	VERB
eurjchem-2480	46	34	in	in	ADP
eurjchem-2480	46	35	dft	dft	PROPN
eurjchem-2480	46	36	for	for	ADP
eurjchem-2480	46	37	cc	cc	X
eurjchem-2480	46	38	to	to	ADP
eurjchem-2480	46	39	6	6	NUM
eurjchem-2480	46	40	and	and	CCONJ
eurjchem-2480	46	41	9	9	NUM
eurjchem-2480	46	42	dimensions	dimension	NOUN
eurjchem-2480	46	43	with	with	ADP
eurjchem-2480	46	44	the	the	DET
eurjchem-2480	46	45	device	device	NOUN
eurjchem-2480	46	46	of	of	ADP
eurjchem-2480	46	47	the	the	DET
eurjchem-2480	46	48	descartes	descartes	PROPN
eurjchem-2480	46	49	product	product	NOUN
eurjchem-2480	46	50	.	.	PUNCT
eurjchem-2480	47	1	furthermore	furthermore	ADV
eurjchem-2480	47	2	,	,	PUNCT
eurjchem-2480	47	3	integrals	integral	NOUN
eurjchem-2480	47	4	such	such	ADJ
eurjchem-2480	47	5	as	as	ADP
eurjchem-2480	47	6	∫ρ(1)ρ(2)ρ(3)ρ(4)r12	∫ρ(1)ρ(2)ρ(3)ρ(4)r12	ADJ
eurjchem-2480	47	7	-	-	PUNCT
eurjchem-2480	47	8	nr34	nr34	PROPN
eurjchem-2480	47	9	-	-	PUNCT
eurjchem-2480	47	10	mdr1dr2dr3dr4	mdr1dr2dr3dr4	PROPN
eurjchem-2480	47	11	break	break	NOUN
eurjchem-2480	47	12	up	up	ADP
eurjchem-2480	47	13	into	into	ADP
eurjchem-2480	47	14	products	product	NOUN
eurjchem-2480	47	15	of	of	ADP
eurjchem-2480	47	16	simpler	simple	ADJ
eurjchem-2480	47	17	elements	element	NOUN
eurjchem-2480	47	18	such	such	ADJ
eurjchem-2480	47	19	as	as	ADP
eurjchem-2480	47	20	∫ρ(1)ρ(2)r12ndr1dr2	∫ρ(1)ρ(2)r12ndr1dr2	PROPN
eurjchem-2480	47	21	and	and	CCONJ
eurjchem-2480	47	22	∫ρ(3)ρ(4)r34	∫ρ(3)ρ(4)r34	NOUN
eurjchem-2480	47	23	-	-	PUNCT
eurjchem-2480	47	24	mdr3dr4	mdr3dr4	NOUN
eurjchem-2480	47	25	,	,	PUNCT
eurjchem-2480	47	26	etc	etc	X
eurjchem-2480	47	27	.	.	X
eurjchem-2480	47	28	,	,	PUNCT
eurjchem-2480	47	29	and	and	CCONJ
eurjchem-2480	47	30	fall	fall	VERB
eurjchem-2480	47	31	into	into	ADP
eurjchem-2480	47	32	the	the	DET
eurjchem-2480	47	33	cases	case	NOUN
eurjchem-2480	47	34	discussed	discuss	VERB
eurjchem-2480	47	35	.	.	PUNCT
eurjchem-2480	48	1	last	last	ADJ
eurjchem-2480	48	2	,	,	PUNCT
eurjchem-2480	48	3	we	we	PRON
eurjchem-2480	48	4	mention	mention	VERB
eurjchem-2480	48	5	that	that	PRON
eurjchem-2480	48	6	,	,	PUNCT
eurjchem-2480	48	7	in	in	ADP
eurjchem-2480	48	8	addition	addition	NOUN
eurjchem-2480	48	9	to	to	ADP
eurjchem-2480	48	10	the	the	DET
eurjchem-2480	48	11	ones	one	NOUN
eurjchem-2480	48	12	in	in	ADP
eurjchem-2480	48	13	equation	equation	NOUN
eurjchem-2480	48	14	2	2	NUM
eurjchem-2480	48	15	,	,	PUNCT
eurjchem-2480	48	16	w	w	NOUN
eurjchem-2480	48	17	=	=	PUNCT
eurjchem-2480	48	18	a	a	DET
eurjchem-2480	48	19	/	/	SYM
eurjchem-2480	48	20	r12	r12	NOUN
eurjchem-2480	48	21	with	with	ADP
eurjchem-2480	48	22	the	the	DET
eurjchem-2480	48	23	real	real	ADJ
eurjchem-2480	48	24	value	value	NOUN
eurjchem-2480	48	25	“	"	PUNCT
eurjchem-2480	48	26	a	a	PRON
eurjchem-2480	48	27	”	"	PUNCT
eurjchem-2480	48	28	,	,	PUNCT
eurjchem-2480	48	29	as	as	ADP
eurjchem-2480	48	30	a	a	DET
eurjchem-2480	48	31	scaling	scaling	NOUN
eurjchem-2480	48	32	,	,	PUNCT
eurjchem-2480	48	33	is	be	AUX
eurjchem-2480	48	34	also	also	ADV
eurjchem-2480	48	35	a	a	DET
eurjchem-2480	48	36	choice	choice	NOUN
eurjchem-2480	48	37	.	.	PUNCT
eurjchem-2480	49	1	the	the	DET
eurjchem-2480	49	2	value	value	NOUN
eurjchem-2480	49	3	a	a	DET
eurjchem-2480	49	4	=	=	SYM
eurjchem-2480	49	5	0	0	NUM
eurjchem-2480	49	6	removes	remove	VERB
eurjchem-2480	49	7	the	the	DET
eurjchem-2480	49	8	electron	electron	NOUN
eurjchem-2480	49	9	-	-	PUNCT
eurjchem-2480	49	10	electron	electron	NOUN
eurjchem-2480	49	11	potential	potential	NOUN
eurjchem-2480	49	12	,	,	PUNCT
eurjchem-2480	49	13	and	and	CCONJ
eurjchem-2480	49	14	tuning	tune	VERB
eurjchem-2480	49	15	“	"	PUNCT
eurjchem-2480	49	16	a	a	PRON
eurjchem-2480	49	17	”	"	PUNCT
eurjchem-2480	49	18	from	from	ADP
eurjchem-2480	49	19	unity	unity	NOUN
eurjchem-2480	49	20	can	can	AUX
eurjchem-2480	49	21	effectively	effectively	ADV
eurjchem-2480	49	22	account	account	VERB
eurjchem-2480	49	23	for	for	ADP
eurjchem-2480	49	24	the	the	DET
eurjchem-2480	49	25	correlation	correlation	NOUN
eurjchem-2480	49	26	energy	energy	NOUN
eurjchem-2480	49	27	in	in	ADP
eurjchem-2480	49	28	hf	hf	PROPN
eurjchem-2480	49	29	-	-	PUNCT
eurjchem-2480	49	30	scf	scf	NOUN
eurjchem-2480	49	31	calculations	calculation	NOUN
eurjchem-2480	49	32	,	,	PUNCT
eurjchem-2480	49	33	as	as	SCONJ
eurjchem-2480	49	34	detailed	detailed	ADJ
eurjchem-2480	49	35	in	in	ADP
eurjchem-2480	49	36	references	reference	NOUN
eurjchem-2480	49	37	[	[	X
eurjchem-2480	49	38	12,13	12,13	NUM
eurjchem-2480	49	39	]	]	PUNCT
eurjchem-2480	49	40	.	.	PUNCT
eurjchem-2480	50	1	furthermore	furthermore	ADV
eurjchem-2480	50	2	,	,	PUNCT
eurjchem-2480	50	3	the	the	DET
eurjchem-2480	50	4	analytical	analytical	ADJ
eurjchem-2480	50	5	integral	integral	ADJ
eurjchem-2480	50	6	evaluation	evaluation	NOUN
eurjchem-2480	50	7	does	do	AUX
eurjchem-2480	50	8	not	not	PART
eurjchem-2480	50	9	change	change	VERB
eurjchem-2480	50	10	with	with	ADP
eurjchem-2480	50	11	this	this	DET
eurjchem-2480	50	12	“	"	PUNCT
eurjchem-2480	50	13	a	a	PRON
eurjchem-2480	50	14	”	"	PUNCT
eurjchem-2480	50	15	in	in	ADP
eurjchem-2480	50	16	this	this	DET
eurjchem-2480	50	17	way	way	NOUN
eurjchem-2480	50	18	,	,	PUNCT
eurjchem-2480	50	19	for	for	ADP
eurjchem-2480	50	20	example	example	NOUN
eurjchem-2480	50	21	,	,	PUNCT
eurjchem-2480	50	22	in	in	ADP
eurjchem-2480	50	23	hf	hf	PROPN
eurjchem-2480	50	24	-	-	PUNCT
eurjchem-2480	50	25	scf	scf	PROPN
eurjchem-2480	50	26	or	or	CCONJ
eurjchem-2480	50	27	dft	dft	PROPN
eurjchem-2480	50	28	.	.	PROPN
eurjchem-2480	50	29	altogether	altogether	ADV
eurjchem-2480	50	30	,	,	PUNCT
eurjchem-2480	50	31	calculating	calculate	VERB
eurjchem-2480	50	32	these	these	DET
eurjchem-2480	50	33	integrals	integral	NOUN
eurjchem-2480	50	34	in	in	ADP
eurjchem-2480	50	35	the	the	DET
eurjchem-2480	50	36	main	main	ADJ
eurjchem-2480	50	37	title	title	NOUN
eurjchem-2480	50	38	analytically	analytically	ADV
eurjchem-2480	50	39	or	or	CCONJ
eurjchem-2480	50	40	numerically	numerically	ADV
eurjchem-2480	50	41	provides	provide	VERB
eurjchem-2480	50	42	important	important	ADJ
eurjchem-2480	50	43	energy	energy	NOUN
eurjchem-2480	50	44	(	(	PUNCT
eurjchem-2480	50	45	main	main	ADJ
eurjchem-2480	50	46	and	and	CCONJ
eurjchem-2480	50	47	correction	correction	NOUN
eurjchem-2480	50	48	)	)	PUNCT
eurjchem-2480	50	49	values	value	NOUN
eurjchem-2480	50	50	in	in	ADP
eurjchem-2480	50	51	cqc	cqc	PROPN
eurjchem-2480	50	52	(	(	PUNCT
eurjchem-2480	50	53	see	see	VERB
eurjchem-2480	50	54	r12	r12	PROPN
eurjchem-2480	50	55	theory	theory	NOUN
eurjchem-2480	50	56	also	also	ADV
eurjchem-2480	50	57	)	)	PUNCT
eurjchem-2480	50	58	.	.	PUNCT
eurjchem-2480	51	1	important	important	ADJ
eurjchem-2480	51	2	is	be	AUX
eurjchem-2480	51	3	that	that	SCONJ
eurjchem-2480	51	4	,	,	PUNCT
eurjchem-2480	51	5	if	if	SCONJ
eurjchem-2480	51	6	,	,	PUNCT
eurjchem-2480	51	7	e.g.	e.g.	ADV
eurjchem-2480	51	8	,	,	PUNCT
eurjchem-2480	51	9	the	the	DET
eurjchem-2480	51	10	simple	simple	ADJ
eurjchem-2480	51	11	∫ga1w(1)dr1	∫ga1w(1)dr1	PROPN
eurjchem-2480	51	12	comes	come	VERB
eurjchem-2480	51	13	up	up	ADP
eurjchem-2480	51	14	among	among	ADP
eurjchem-2480	51	15	the	the	DET
eurjchem-2480	51	16	tasks	task	NOUN
eurjchem-2480	51	17	of	of	ADP
eurjchem-2480	51	18	integrations	integration	NOUN
eurjchem-2480	51	19	(	(	PUNCT
eurjchem-2480	51	20	i.e.	i.e.	X
eurjchem-2480	51	21	,	,	PUNCT
eurjchem-2480	51	22	not	not	PART
eurjchem-2480	51	23	a	a	DET
eurjchem-2480	51	24	general	general	ADJ
eurjchem-2480	51	25	∫f(ρ)w	∫f(ρ)w	PROPN
eurjchem-2480	51	26	wherein	wherein	SCONJ
eurjchem-2480	51	27	f	f	PROPN
eurjchem-2480	51	28	changes	change	VERB
eurjchem-2480	51	29	this	this	DET
eurjchem-2480	51	30	situation	situation	NOUN
eurjchem-2480	51	31	)	)	PUNCT
eurjchem-2480	51	32	,	,	PUNCT
eurjchem-2480	51	33	only	only	ADV
eurjchem-2480	51	34	n	n	CCONJ
eurjchem-2480	51	35	,	,	PUNCT
eurjchem-2480	51	36	m	m	VERB
eurjchem-2480	51	37	<	<	X
eurjchem-2480	51	38	3	3	NUM
eurjchem-2480	51	39	makes	make	VERB
eurjchem-2480	51	40	sense	sense	NOUN
eurjchem-2480	51	41	in	in	ADP
eurjchem-2480	51	42	the	the	DET
eurjchem-2480	51	43	title	title	NOUN
eurjchem-2480	51	44	;	;	PUNCT
eurjchem-2480	51	45	otherwise	otherwise	ADV
eurjchem-2480	51	46	,	,	PUNCT
eurjchem-2480	51	47	this	this	DET
eurjchem-2480	51	48	integral	integral	NOUN
eurjchem-2480	51	49	is	be	AUX
eurjchem-2480	51	50	infinite	infinite	ADJ
eurjchem-2480	51	51	.	.	PUNCT
eurjchem-2480	52	1	it	it	PRON
eurjchem-2480	52	2	originates	originate	VERB
eurjchem-2480	52	3	from	from	ADP
eurjchem-2480	52	4	(	(	PUNCT
eurjchem-2480	52	5	switching	switch	VERB
eurjchem-2480	52	6	to	to	ADP
eurjchem-2480	52	7	spherical	spherical	ADJ
eurjchem-2480	52	8	coordinates	coordinate	NOUN
eurjchem-2480	52	9	using	use	VERB
eurjchem-2480	52	10	dxdydz=	dxdydz=	NUM
eurjchem-2480	52	11	r2sin(θ)drdθdϕ	r2sin(θ)drdθdϕ	NOUN
eurjchem-2480	52	12	yielding	yield	VERB
eurjchem-2480	52	13	)	)	PUNCT
eurjchem-2480	53	1	∫r3	∫r3	AUX
eurjchem-2480	53	2	rk	rk	NOUN
eurjchem-2480	53	3	exp(-a	exp(-a	PRON
eurjchem-2480	53	4	rp)dr	rp)dr	NOUN
eurjchem-2480	53	5	=	=	SYM
eurjchem-2480	53	6	4π∫(0,∞)rk+2exp(-a	4π∫(0,∞)rk+2exp(-a	NUM
eurjchem-2480	53	7	rp)dr	rp)dr	NOUN
eurjchem-2480	54	1	=	=	SYM
eurjchem-2480	54	2	finite	finite	NOUN
eurjchem-2480	54	3	for	for	ADP
eurjchem-2480	54	4	p=	p=	NOUN
eurjchem-2480	54	5	1	1	NUM
eurjchem-2480	54	6	or	or	CCONJ
eurjchem-2480	54	7	2	2	NUM
eurjchem-2480	54	8	if	if	SCONJ
eurjchem-2480	54	9	k	k	PROPN
eurjchem-2480	54	10	>	>	X
eurjchem-2480	54	11	-3	-3	INTJ
eurjchem-2480	54	12	,	,	PUNCT
eurjchem-2480	54	13	etc	etc	X
eurjchem-2480	54	14	.	.	X
eurjchem-2480	55	1	2	2	X
eurjchem-2480	55	2	.	.	PUNCT
eurjchem-2480	55	3	analytical	analytical	ADJ
eurjchem-2480	55	4	evaluations	evaluation	NOUN
eurjchem-2480	55	5	for	for	ADP
eurjchem-2480	55	6	values	value	NOUN
eurjchem-2480	55	7	n	n	CCONJ
eurjchem-2480	55	8	,	,	PUNCT
eurjchem-2480	55	9	m	m	VERB
eurjchem-2480	55	10	=	=	NOUN
eurjchem-2480	55	11	0	0	NUM
eurjchem-2480	55	12	,	,	PUNCT
eurjchem-2480	55	13	1	1	NUM
eurjchem-2480	55	14	,	,	PUNCT
eurjchem-2480	55	15	2	2	NUM
eurjchem-2480	55	16	using	use	VERB
eurjchem-2480	55	17	laplace	laplace	NOUN
eurjchem-2480	55	18	transformations	transformation	NOUN
eurjchem-2480	55	19	rc1	rc1	NOUN
eurjchem-2480	55	20	-	-	PUNCT
eurjchem-2480	55	21	1	1	NUM
eurjchem-2480	55	22	=	=	SYM
eurjchem-2480	55	23	π−1/2∫(-∞,∞	π−1/2∫(-∞,∞	PROPN
eurjchem-2480	55	24	)	)	PUNCT
eurjchem-2480	55	25	exp(rc12t2)dt	exp(rc12t2)dt	PROPN
eurjchem-2480	55	26	and	and	CCONJ
eurjchem-2480	55	27	rc1	rc1	NOUN
eurjchem-2480	55	28	-	-	PUNCT
eurjchem-2480	55	29	2	2	NUM
eurjchem-2480	55	30	=	=	SYM
eurjchem-2480	55	31	∫(-∞,0	∫(-∞,0	NOUN
eurjchem-2480	55	32	)	)	PUNCT
eurjchem-2480	55	33	exp(rc12t)dt	exp(rc12t)dt	X
eurjchem-2480	55	34	=	=	SYM
eurjchem-2480	55	35	∫(0,∞	∫(0,∞	PROPN
eurjchem-2480	55	36	)	)	PUNCT
eurjchem-2480	55	37	exp(-rc12t)dt	exp(-rc12t)dt	PROPN
eurjchem-2480	55	38	,	,	PUNCT
eurjchem-2480	55	39	the	the	DET
eurjchem-2480	55	40	one	one	NUM
eurjchem-2480	55	41	-	-	PUNCT
eurjchem-2480	55	42	electron	electron	NOUN
eurjchem-2480	55	43	spherical	spherical	ADJ
eurjchem-2480	55	44	coulomb	coulomb	NOUN
eurjchem-2480	55	45	integral	integral	ADJ
eurjchem-2480	55	46	,	,	PUNCT
eurjchem-2480	55	47	vp	vp	PROPN
eurjchem-2480	55	48	,	,	PUNCT
eurjchem-2480	55	49	c(n)≡	c(n)≡	PROPN
eurjchem-2480	55	50	∫(r3	∫(r3	PROPN
eurjchem-2480	55	51	)	)	PUNCT
eurjchem-2480	55	52	exp(-p	exp(-p	NOUN
eurjchem-2480	56	1	rp12	rp12	PROPN
eurjchem-2480	56	2	)	)	PUNCT
eurjchem-2480	56	3	rc1	rc1	PROPN
eurjchem-2480	56	4	-	-	PUNCT
eurjchem-2480	56	5	n	n	PRON
eurjchem-2480	56	6	dr1	dr1	PROPN
eurjchem-2480	56	7	,	,	PUNCT
eurjchem-2480	56	8	with	with	ADP
eurjchem-2480	56	9	gp1(p,0,0,0	gp1(p,0,0,0	NOUN
eurjchem-2480	56	10	)	)	PUNCT
eurjchem-2480	56	11	can	can	AUX
eurjchem-2480	56	12	be	be	AUX
eurjchem-2480	56	13	evaluated	evaluate	VERB
eurjchem-2480	56	14	[	[	X
eurjchem-2480	56	15	14,15	14,15	NUM
eurjchem-2480	56	16	]	]	PUNCT
eurjchem-2480	56	17	.	.	PUNCT
eurjchem-2480	57	1	the	the	DET
eurjchem-2480	57	2	case	case	NOUN
eurjchem-2480	57	3	n	n	NOUN
eurjchem-2480	57	4	=	=	SYM
eurjchem-2480	57	5	1	1	NUM
eurjchem-2480	57	6	is	be	AUX
eurjchem-2480	57	7	widely	widely	ADV
eurjchem-2480	57	8	used	use	VERB
eurjchem-2480	57	9	,	,	PUNCT
eurjchem-2480	57	10	n	n	NOUN
eurjchem-2480	57	11	=	=	SYM
eurjchem-2480	57	12	2	2	NUM
eurjchem-2480	57	13	with	with	ADP
eurjchem-2480	57	14	boys	boy	NOUN
eurjchem-2480	57	15	function	function	VERB
eurjchem-2480	57	16	and	and	CCONJ
eurjchem-2480	57	17	v≡	v≡	ADP
eurjchem-2480	57	18	p	p	X
eurjchem-2480	57	19	rcp2	rcp2	PROPN
eurjchem-2480	57	20	is	be	AUX
eurjchem-2480	57	21	vp	vp	PROPN
eurjchem-2480	57	22	,	,	PUNCT
eurjchem-2480	57	23	c(2	c(2	PROPN
eurjchem-2480	57	24	)	)	PUNCT
eurjchem-2480	57	25	=	=	PUNCT
eurjchem-2480	58	1	(	(	PUNCT
eurjchem-2480	58	2	2π3/2	2π3/2	NUM
eurjchem-2480	58	3	/	/	SYM
eurjchem-2480	58	4	p1/2	p1/2	ADJ
eurjchem-2480	58	5	)	)	PUNCT
eurjchem-2480	58	6	∫(0,1	∫(0,1	NOUN
eurjchem-2480	58	7	)	)	PUNCT
eurjchem-2480	58	8	exp(p	exp(p	NOUN
eurjchem-2480	58	9	rcp2	rcp2	NOUN
eurjchem-2480	58	10	(	(	PUNCT
eurjchem-2480	58	11	w2	w2	NOUN
eurjchem-2480	58	12	-	-	PUNCT
eurjchem-2480	58	13	1))dw	1))dw	PROPN
eurjchem-2480	58	14	=	=	SYM
eurjchem-2480	58	15	(	(	PUNCT
eurjchem-2480	58	16	2π3/2	2π3/2	NUM
eurjchem-2480	58	17	/	/	SYM
eurjchem-2480	58	18	p1/2)e	p1/2)e	NOUN
eurjchem-2480	58	19	-	-	PUNCT
eurjchem-2480	58	20	vf0(-v	vf0(-v	NOUN
eurjchem-2480	58	21	)	)	PUNCT
eurjchem-2480	58	22	(	(	PUNCT
eurjchem-2480	58	23	3	3	X
eurjchem-2480	58	24	)	)	PUNCT
eurjchem-2480	58	25	for	for	ADP
eurjchem-2480	58	26	nonspherical	nonspherical	ADJ
eurjchem-2480	58	27	gp1(p	gp1(p	PROPN
eurjchem-2480	58	28	,	,	PUNCT
eurjchem-2480	58	29	nx	nx	PROPN
eurjchem-2480	58	30	,	,	PUNCT
eurjchem-2480	58	31	ny	ny	PROPN
eurjchem-2480	58	32	,	,	PUNCT
eurjchem-2480	58	33	nz	nz	PROPN
eurjchem-2480	58	34	)	)	PUNCT
eurjchem-2480	58	35	in	in	ADP
eurjchem-2480	58	36	one	one	NUM
eurjchem-2480	58	37	-	-	PUNCT
eurjchem-2480	58	38	electron	electron	NOUN
eurjchem-2480	58	39	coulomb	coulomb	NOUN
eurjchem-2480	58	40	integral	integral	ADJ
eurjchem-2480	58	41	with	with	ADP
eurjchem-2480	58	42	energy	energy	NOUN
eurjchem-2480	58	43	operator	operator	NOUN
eurjchem-2480	58	44	rc1	rc1	NOUN
eurjchem-2480	58	45	-	-	PUNCT
eurjchem-2480	58	46	2	2	NUM
eurjchem-2480	58	47	,	,	PUNCT
eurjchem-2480	58	48	no	no	DET
eurjchem-2480	58	49	further	further	ADJ
eurjchem-2480	58	50	trick	trick	NOUN
eurjchem-2480	58	51	is	be	AUX
eurjchem-2480	58	52	needed	need	VERB
eurjchem-2480	58	53	;	;	PUNCT
eurjchem-2480	58	54	the	the	DET
eurjchem-2480	58	55	only	only	ADJ
eurjchem-2480	58	56	formula	formula	NOUN
eurjchem-2480	58	57	necessary	necessary	ADJ
eurjchem-2480	58	58	is	be	AUX
eurjchem-2480	58	59	how	how	SCONJ
eurjchem-2480	58	60	to	to	PART
eurjchem-2480	58	61	shift	shift	VERB
eurjchem-2480	58	62	the	the	DET
eurjchem-2480	58	63	center	center	NOUN
eurjchem-2480	58	64	of	of	ADP
eurjchem-2480	58	65	the	the	DET
eurjchem-2480	58	66	polynomials	polynomial	NOUN
eurjchem-2480	58	67	,	,	PUNCT
eurjchem-2480	58	68	see	see	VERB
eurjchem-2480	58	69	appendices	appendix	NOUN
eurjchem-2480	58	70	1	1	NUM
eurjchem-2480	58	71	-	-	SYM
eurjchem-2480	58	72	4	4	NUM
eurjchem-2480	58	73	in	in	ADP
eurjchem-2480	58	74	reference	reference	NOUN
eurjchem-2480	58	75	[	[	X
eurjchem-2480	58	76	14	14	NUM
eurjchem-2480	58	77	]	]	PUNCT
eurjchem-2480	58	78	.	.	PUNCT
eurjchem-2480	59	1	with	with	SCONJ
eurjchem-2480	59	2	the	the	DET
eurjchem-2480	59	3	notations	notation	NOUN
eurjchem-2480	59	4	fullvp	fullvp	ADJ
eurjchem-2480	59	5	,	,	PUNCT
eurjchem-2480	59	6	c(n	c(n	NOUN
eurjchem-2480	59	7	)	)	PUNCT
eurjchem-2480	59	8	and	and	CCONJ
eurjchem-2480	59	9	vp	vp	PROPN
eurjchem-2480	59	10	,	,	PUNCT
eurjchem-2480	59	11	c(n	c(n	PROPN
eurjchem-2480	59	12	)	)	PUNCT
eurjchem-2480	59	13	,	,	PUNCT
eurjchem-2480	59	14	the	the	DET
eurjchem-2480	59	15	former	former	ADJ
eurjchem-2480	59	16	stands	stand	VERB
eurjchem-2480	59	17	for	for	ADP
eurjchem-2480	59	18	any	any	DET
eurjchem-2480	59	19	(	(	PUNCT
eurjchem-2480	59	20	spherical	spherical	ADJ
eurjchem-2480	59	21	and	and	CCONJ
eurjchem-2480	59	22	non	non	ADJ
eurjchem-2480	59	23	-	-	ADJ
eurjchem-2480	59	24	spherical	spherical	ADJ
eurjchem-2480	59	25	)	)	PUNCT
eurjchem-2480	59	26	nx+ny+nz	nx+ny+nz	NOUN
eurjchem-2480	59	27	≥	≥	NOUN
eurjchem-2480	59	28	0	0	NUM
eurjchem-2480	59	29	quantum	quantum	ADJ
eurjchem-2480	59	30	number	number	NOUN
eurjchem-2480	59	31	,	,	PUNCT
eurjchem-2480	59	32	while	while	SCONJ
eurjchem-2480	59	33	the	the	DET
eurjchem-2480	59	34	latter	latter	ADJ
eurjchem-2480	59	35	denotes	denote	VERB
eurjchem-2480	59	36	the	the	DET
eurjchem-2480	59	37	simplest	simple	ADJ
eurjchem-2480	59	38	spherical	spherical	ADJ
eurjchem-2480	59	39	(	(	PUNCT
eurjchem-2480	59	40	1s	1s	NUM
eurjchem-2480	59	41	-	-	PUNCT
eurjchem-2480	59	42	like	like	ADJ
eurjchem-2480	59	43	)	)	PUNCT
eurjchem-2480	59	44	case	case	NOUN
eurjchem-2480	59	45	,	,	PUNCT
eurjchem-2480	59	46	nx	nx	PROPN
eurjchem-2480	59	47	=	=	SYM
eurjchem-2480	59	48	ny	ny	PROPN
eurjchem-2480	59	49	=	=	SYM
eurjchem-2480	59	50	nz	nz	PROPN
eurjchem-2480	60	1	=	=	SYM
eurjchem-2480	61	1	0	0	X
eurjchem-2480	61	2	.	.	PUNCT
eurjchem-2480	62	1	in	in	ADP
eurjchem-2480	62	2	more	more	ADJ
eurjchem-2480	62	3	detail	detail	NOUN
eurjchem-2480	62	4	,	,	PUNCT
eurjchem-2480	62	5	it	it	PRON
eurjchem-2480	62	6	is	be	AUX
eurjchem-2480	62	7	the	the	DET
eurjchem-2480	62	8	integral	integral	ADJ
eurjchem-2480	62	9	fullvp	fullvp	NOUN
eurjchem-2480	62	10	,	,	PUNCT
eurjchem-2480	62	11	c(2)≡	c(2)≡	NOUN
eurjchem-2480	62	12	∫(r3)gp1(p	∫(r3)gp1(p	NOUN
eurjchem-2480	62	13	,	,	PUNCT
eurjchem-2480	62	14	nx1,ny1,nz1	nx1,ny1,nz1	NOUN
eurjchem-2480	62	15	)	)	PUNCT
eurjchem-2480	62	16	rc1	rc1	NOUN
eurjchem-2480	62	17	-	-	PUNCT
eurjchem-2480	62	18	2	2	NUM
eurjchem-2480	62	19	dr1	dr1	PROPN
eurjchem-2480	62	20	.	.	PROPN
eurjchem-2480	63	1	for	for	ADP
eurjchem-2480	63	2	n	n	NOUN
eurjchem-2480	63	3	=	=	SYM
eurjchem-2480	63	4	2	2	NUM
eurjchem-2480	63	5	,	,	PUNCT
eurjchem-2480	63	6	see	see	VERB
eurjchem-2480	63	7	references	reference	NOUN
eurjchem-2480	63	8	[	[	X
eurjchem-2480	63	9	14,15	14,15	NUM
eurjchem-2480	63	10	]	]	X
eurjchem-2480	63	11	.	.	PUNCT
eurjchem-2480	64	1	for	for	ADP
eurjchem-2480	64	2	a	a	DET
eurjchem-2480	64	3	one	one	NUM
eurjchem-2480	64	4	-	-	PUNCT
eurjchem-2480	64	5	electron	electron	NOUN
eurjchem-2480	64	6	spherical	spherical	ADJ
eurjchem-2480	64	7	coulomb	coulomb	NOUN
eurjchem-2480	64	8	integral	integral	ADJ
eurjchem-2480	64	9	with	with	ADP
eurjchem-2480	64	10	the	the	DET
eurjchem-2480	64	11	energy	energy	NOUN
eurjchem-2480	64	12	operator	operator	NOUN
eurjchem-2480	64	13	rc1	rc1	NOUN
eurjchem-2480	64	14	-	-	PUNCT
eurjchem-2480	64	15	nrd1	nrd1	NOUN
eurjchem-2480	64	16	-	-	PUNCT
eurjchem-2480	64	17	m	m	NOUN
eurjchem-2480	64	18	with	with	ADP
eurjchem-2480	64	19	n	n	CCONJ
eurjchem-2480	64	20	,	,	PUNCT
eurjchem-2480	64	21	m	m	VERB
eurjchem-2480	64	22	=	=	NOUN
eurjchem-2480	64	23	1	1	NUM
eurjchem-2480	64	24	,	,	PUNCT
eurjchem-2480	64	25	2	2	NUM
eurjchem-2480	64	26	one	one	NOUN
eurjchem-2480	64	27	can	can	AUX
eurjchem-2480	64	28	also	also	ADV
eurjchem-2480	64	29	evaluate	evaluate	VERB
eurjchem-2480	64	30	the	the	DET
eurjchem-2480	64	31	vp	vp	NOUN
eurjchem-2480	64	32	,	,	PUNCT
eurjchem-2480	64	33	cd(n	cd(n	NOUN
eurjchem-2480	64	34	,	,	PUNCT
eurjchem-2480	64	35	m)≡	m)≡	VERB
eurjchem-2480	64	36	∫(r3)exp(-prp12)rc1	∫(r3)exp(-prp12)rc1	PROPN
eurjchem-2480	64	37	-	-	PUNCT
eurjchem-2480	64	38	nrd1	nrd1	PROPN
eurjchem-2480	64	39	-	-	PUNCT
eurjchem-2480	64	40	mdr1	mdr1	PROPN
eurjchem-2480	64	41	.	.	PUNCT
eurjchem-2480	65	1	using	use	VERB
eurjchem-2480	65	2	the	the	DET
eurjchem-2480	65	3	same	same	ADJ
eurjchem-2480	65	4	tools	tool	NOUN
eurjchem-2480	65	5	as	as	ADP
eurjchem-2480	65	6	above	above	ADV
eurjchem-2480	65	7	,	,	PUNCT
eurjchem-2480	65	8	the	the	DET
eurjchem-2480	65	9	algorithm	algorithm	NOUN
eurjchem-2480	65	10	is	be	AUX
eurjchem-2480	65	11	straightforward	straightforward	ADJ
eurjchem-2480	65	12	.	.	PUNCT
eurjchem-2480	66	1	for	for	ADP
eurjchem-2480	66	2	example	example	NOUN
eurjchem-2480	66	3	,	,	PUNCT
eurjchem-2480	66	4	with	with	SCONJ
eurjchem-2480	66	5	(	(	PUNCT
eurjchem-2480	66	6	n	n	CCONJ
eurjchem-2480	66	7	,	,	PUNCT
eurjchem-2480	66	8	m	m	NOUN
eurjchem-2480	66	9	)	)	PUNCT
eurjchem-2480	66	10	=	=	SYM
eurjchem-2480	66	11	(	(	PUNCT
eurjchem-2480	66	12	1,2	1,2	NUM
eurjchem-2480	66	13	)	)	PUNCT
eurjchem-2480	66	14	and	and	CCONJ
eurjchem-2480	66	15	using	use	VERB
eurjchem-2480	66	16	g≡	g≡	NOUN
eurjchem-2480	66	17	p+t2+u	p+t2+u	NOUN
eurjchem-2480	66	18	and	and	CCONJ
eurjchem-2480	66	19	f≡	f≡	ADJ
eurjchem-2480	66	20	p	p	NOUN
eurjchem-2480	66	21	t2	t2	NOUN
eurjchem-2480	66	22	rpc2	rpc2	VERB
eurjchem-2480	66	23	+	+	CCONJ
eurjchem-2480	66	24	p	p	X
eurjchem-2480	66	25	u	u	PROPN
eurjchem-2480	66	26	rpd2	rpd2	NOUN
eurjchem-2480	66	27	+	+	CCONJ
eurjchem-2480	66	28	u	u	NOUN
eurjchem-2480	66	29	t2	t2	NOUN
eurjchem-2480	66	30	rcd2	rcd2	VERB
eurjchem-2480	66	31	the	the	DET
eurjchem-2480	66	32	vp	vp	PROPN
eurjchem-2480	66	33	,	,	PUNCT
eurjchem-2480	66	34	cd(1,2	cd(1,2	ADJ
eurjchem-2480	66	35	)	)	PUNCT
eurjchem-2480	67	1	=	=	SYM
eurjchem-2480	67	2	π∫t=(-∞,∞)∫u=(0,∞)g-3/2exp(-f	π∫t=(-∞,∞)∫u=(0,∞)g-3/2exp(-f	NOUN
eurjchem-2480	67	3	/	/	SYM
eurjchem-2480	67	4	g	g	NOUN
eurjchem-2480	67	5	)	)	PUNCT
eurjchem-2480	67	6	du	du	NOUN
eurjchem-2480	67	7	dt	dt	X
eurjchem-2480	67	8	(	(	PUNCT
eurjchem-2480	67	9	4	4	X
eurjchem-2480	67	10	)	)	PUNCT
eurjchem-2480	67	11	the	the	DET
eurjchem-2480	67	12	twoand	twoand	ADJ
eurjchem-2480	67	13	three	three	NUM
eurjchem-2480	67	14	-	-	PUNCT
eurjchem-2480	67	15	electron	electron	NOUN
eurjchem-2480	67	16	spherical	spherical	ADJ
eurjchem-2480	67	17	coulomb	coulomb	NOUN
eurjchem-2480	67	18	integrals	integral	NOUN
eurjchem-2480	67	19	are	be	AUX
eurjchem-2480	67	20	as	as	SCONJ
eurjchem-2480	67	21	follows	follow	VERB
eurjchem-2480	67	22	:	:	PUNCT
eurjchem-2480	67	23	the	the	DET
eurjchem-2480	67	24	two	two	NUM
eurjchem-2480	67	25	-	-	PUNCT
eurjchem-2480	67	26	electron	electron	NOUN
eurjchem-2480	67	27	spherical	spherical	ADJ
eurjchem-2480	67	28	coulomb	coulomb	NOUN
eurjchem-2480	67	29	integral	integral	ADJ
eurjchem-2480	67	30	with	with	ADP
eurjchem-2480	67	31	r12	r12	NOUN
eurjchem-2480	67	32	-	-	PUNCT
eurjchem-2480	67	33	2	2	NUM
eurjchem-2480	67	34	,	,	PUNCT
eurjchem-2480	67	35	the	the	DET
eurjchem-2480	67	36	(	(	PUNCT
eurjchem-2480	67	37	n	n	X
eurjchem-2480	67	38	,	,	PUNCT
eurjchem-2480	67	39	m	m	NOUN
eurjchem-2480	67	40	)	)	PUNCT
eurjchem-2480	67	41	=	=	SYM
eurjchem-2480	67	42	(	(	PUNCT
eurjchem-2480	67	43	2,0	2,0	NOUN
eurjchem-2480	67	44	)	)	PUNCT
eurjchem-2480	67	45	and	and	CCONJ
eurjchem-2480	67	46	(	(	PUNCT
eurjchem-2480	67	47	0,2	0,2	NUM
eurjchem-2480	67	48	)	)	PUNCT
eurjchem-2480	67	49	cases	case	NOUN
eurjchem-2480	67	50	are	be	AUX
eurjchem-2480	67	51	vpq(n)≡	vpq(n)≡	X
eurjchem-2480	67	52	∫(r6	∫(r6	NUM
eurjchem-2480	67	53	)	)	PUNCT
eurjchem-2480	68	1	exp(p	exp(p	NOUN
eurjchem-2480	68	2	rp12	rp12	PROPN
eurjchem-2480	68	3	)	)	PUNCT
eurjchem-2480	68	4	exp(-q	exp(-q	PROPN
eurjchem-2480	68	5	rq22	rq22	PROPN
eurjchem-2480	68	6	)	)	PUNCT
eurjchem-2480	68	7	r12	r12	NOUN
eurjchem-2480	68	8	-	-	PUNCT
eurjchem-2480	68	9	n	n	NOUN
eurjchem-2480	68	10	dr1dr2	dr1dr2	NOUN
eurjchem-2480	68	11	.	.	PUNCT
eurjchem-2480	69	1	the	the	DET
eurjchem-2480	69	2	case	case	NOUN
eurjchem-2480	69	3	n	n	NOUN
eurjchem-2480	69	4	=	=	SYM
eurjchem-2480	69	5	1	1	NUM
eurjchem-2480	69	6	is	be	AUX
eurjchem-2480	69	7	widely	widely	ADV
eurjchem-2480	69	8	used	use	VERB
eurjchem-2480	69	9	[	[	X
eurjchem-2480	69	10	15	15	NUM
eurjchem-2480	69	11	]	]	PUNCT
eurjchem-2480	69	12	and	and	CCONJ
eurjchem-2480	69	13	the	the	DET
eurjchem-2480	69	14	case	case	NOUN
eurjchem-2480	69	15	n	n	NOUN
eurjchem-2480	69	16	=	=	SYM
eurjchem-2480	69	17	2	2	NUM
eurjchem-2480	69	18	is	be	AUX
eurjchem-2480	69	19	in	in	ADP
eurjchem-2480	69	20	equations	equation	NOUN
eurjchem-2480	69	21	5	5	NUM
eurjchem-2480	69	22	and	and	CCONJ
eurjchem-2480	69	23	6	6	NUM
eurjchem-2480	69	24	,	,	PUNCT
eurjchem-2480	69	25	wherein	wherein	ADJ
eurjchem-2480	69	26	v≡	v≡	ADJ
eurjchem-2480	69	27	pqrpq2/(p+q	pqrpq2/(p+q	NOUN
eurjchem-2480	69	28	):	):	PUNCT
eurjchem-2480	69	29	vp	vp	PROPN
eurjchem-2480	69	30	,	,	PUNCT
eurjchem-2480	69	31	c(2	c(2	PROPN
eurjchem-2480	69	32	)	)	PUNCT
eurjchem-2480	69	33	=	=	SYM
eurjchem-2480	69	34	∫(r3	∫(r3	PROPN
eurjchem-2480	69	35	)	)	PUNCT
eurjchem-2480	69	36	exp(-p	exp(-p	NOUN
eurjchem-2480	70	1	rp12)r12	rp12)r12	PROPN
eurjchem-2480	70	2	-	-	PUNCT
eurjchem-2480	70	3	2	2	NUM
eurjchem-2480	70	4	dr1	dr1	PROPN
eurjchem-2480	70	5	=	=	SYM
eurjchem-2480	70	6	(	(	PUNCT
eurjchem-2480	70	7	2π3/2	2π3/2	NUM
eurjchem-2480	70	8	/	/	SYM
eurjchem-2480	70	9	p1/2	p1/2	ADJ
eurjchem-2480	70	10	)	)	PUNCT
eurjchem-2480	70	11	∫(0,1	∫(0,1	NOUN
eurjchem-2480	70	12	)	)	PUNCT
eurjchem-2480	70	13	exp(p	exp(p	NOUN
eurjchem-2480	70	14	rp22	rp22	PROPN
eurjchem-2480	70	15	(	(	PUNCT
eurjchem-2480	70	16	w2	w2	NOUN
eurjchem-2480	70	17	-	-	PUNCT
eurjchem-2480	70	18	1))dw	1))dw	PROPN
eurjchem-2480	70	19	(	(	PUNCT
eurjchem-2480	70	20	5	5	NUM
eurjchem-2480	70	21	)	)	PUNCT
eurjchem-2480	70	22	vpq(2	vpq(2	NOUN
eurjchem-2480	70	23	)	)	PUNCT
eurjchem-2480	70	24	=	=	SYM
eurjchem-2480	70	25	2π3(pq)-1/2(p+q)-1∫(0,1	2π3(pq)-1/2(p+q)-1∫(0,1	NUM
eurjchem-2480	70	26	)	)	PUNCT
eurjchem-2480	70	27	exp(v(w2	exp(v(w2	NOUN
eurjchem-2480	70	28	-	-	PUNCT
eurjchem-2480	70	29	1))dw	1))dw	PROPN
eurjchem-2480	70	30	=	=	SYM
eurjchem-2480	70	31	(	(	PUNCT
eurjchem-2480	70	32	2π3(pq)-1/2(p+q)-1)e	2π3(pq)-1/2(p+q)-1)e	NUM
eurjchem-2480	70	33	-	-	PUNCT
eurjchem-2480	70	34	vf0(-v	vf0(-v	NOUN
eurjchem-2480	70	35	)	)	PUNCT
eurjchem-2480	70	36	(	(	PUNCT
eurjchem-2480	70	37	6	6	X
eurjchem-2480	70	38	)	)	PUNCT
eurjchem-2480	70	39	the	the	DET
eurjchem-2480	70	40	two	two	NUM
eurjchem-2480	70	41	-	-	PUNCT
eurjchem-2480	70	42	electron	electron	NOUN
eurjchem-2480	70	43	spherical	spherical	ADJ
eurjchem-2480	70	44	coulomb	coulomb	NOUN
eurjchem-2480	70	45	integral	integral	ADJ
eurjchem-2480	70	46	with	with	ADP
eurjchem-2480	70	47	mixed	mixed	ADJ
eurjchem-2480	70	48	term	term	NOUN
eurjchem-2480	70	49	rc1	rc1	NOUN
eurjchem-2480	70	50	-	-	PUNCT
eurjchem-2480	70	51	nr12	nr12	PROPN
eurjchem-2480	70	52	-	-	PUNCT
eurjchem-2480	70	53	m	m	PROPN
eurjchem-2480	70	54	and	and	CCONJ
eurjchem-2480	70	55	n	n	CCONJ
eurjchem-2480	70	56	=	=	NOUN
eurjchem-2480	70	57	m	m	NOUN
eurjchem-2480	70	58	=	=	NOUN
eurjchem-2480	70	59	1	1	NUM
eurjchem-2480	70	60	is	be	AUX
eurjchem-2480	70	61	∫(r6)exp(-prp12)exp(-qrq22)rc1	∫(r6)exp(-prp12)exp(-qrq22)rc1	NOUN
eurjchem-2480	70	62	-	-	ADJ
eurjchem-2480	70	63	1r12	1r12	NUM
eurjchem-2480	70	64	-	-	PUNCT
eurjchem-2480	70	65	1dr1dr2=	1dr1dr2=	NUM
eurjchem-2480	70	66	(	(	PUNCT
eurjchem-2480	70	67	2π2	2π2	NUM
eurjchem-2480	70	68	/	/	SYM
eurjchem-2480	70	69	q)∫u=(0,1)∫t=(-∞,∞	q)∫u=(0,1)∫t=(-∞,∞	NOUN
eurjchem-2480	70	70	)	)	PUNCT
eurjchem-2480	70	71	g-3/2exp(-f	g-3/2exp(-f	NOUN
eurjchem-2480	70	72	/	/	SYM
eurjchem-2480	70	73	g	g	NOUN
eurjchem-2480	70	74	)	)	PUNCT
eurjchem-2480	70	75	dtdu	dtdu	NOUN
eurjchem-2480	70	76	(	(	PUNCT
eurjchem-2480	70	77	7	7	NUM
eurjchem-2480	70	78	)	)	PUNCT
eurjchem-2480	70	79	in	in	ADP
eurjchem-2480	70	80	equation	equation	NOUN
eurjchem-2480	70	81	7	7	NUM
eurjchem-2480	70	82	,	,	PUNCT
eurjchem-2480	70	83	f≡	f≡	X
eurjchem-2480	70	84	pqrpq2u2+prpc2t2+qrqc2u2t2	pqrpq2u2+prpc2t2+qrqc2u2t2	NOUN
eurjchem-2480	70	85	and	and	CCONJ
eurjchem-2480	70	86	g≡	g≡	VERB
eurjchem-2480	70	87	p+qu2+t2	p+qu2+t2	PROPN
eurjchem-2480	70	88	.	.	PUNCT
eurjchem-2480	71	1	alternatively	alternatively	ADV
eurjchem-2480	71	2	,	,	PUNCT
eurjchem-2480	71	3	the	the	DET
eurjchem-2480	71	4	rw=	rw=	ADJ
eurjchem-2480	71	5	(	(	PUNCT
eurjchem-2480	71	6	prp+qu2rq)/(p+qu2	prp+qu2rq)/(p+qu2	NOUN
eurjchem-2480	71	7	)	)	PUNCT
eurjchem-2480	71	8	yields	yield	NOUN
eurjchem-2480	71	9	∫(r6)exp(-prp12)exp(-qrq22)rc1	∫(r6)exp(-prp12)exp(-qrq22)rc1	ADJ
eurjchem-2480	71	10	-	-	ADJ
eurjchem-2480	71	11	1r12	1r12	NUM
eurjchem-2480	71	12	-	-	PUNCT
eurjchem-2480	71	13	1dr1dr2=	1dr1dr2=	NUM
eurjchem-2480	71	14	(	(	PUNCT
eurjchem-2480	71	15	4π2	4π2	NUM
eurjchem-2480	71	16	/	/	SYM
eurjchem-2480	71	17	q)∫(0,1)f0(grwc2)g-1exp(-f	q)∫(0,1)f0(grwc2)g-1exp(-f	PROPN
eurjchem-2480	71	18	/	/	SYM
eurjchem-2480	71	19	g)du	g)du	PROPN
eurjchem-2480	71	20	(	(	PUNCT
eurjchem-2480	71	21	8)	8)	NUM
eurjchem-2480	71	22	in	in	ADP
eurjchem-2480	71	23	equation	equation	NOUN
eurjchem-2480	71	24	8	8	NUM
eurjchem-2480	71	25	,	,	PUNCT
eurjchem-2480	71	26	f≡	f≡	X
eurjchem-2480	71	27	pqrpq2u2	pqrpq2u2	NOUN
eurjchem-2480	71	28	and	and	CCONJ
eurjchem-2480	71	29	g≡	g≡	NOUN
eurjchem-2480	71	30	p+qu2	p+qu2	ADJ
eurjchem-2480	71	31	,	,	PUNCT
eurjchem-2480	71	32	where	where	SCONJ
eurjchem-2480	71	33	rwc	rwc	NOUN
eurjchem-2480	71	34	depends	depend	VERB
eurjchem-2480	71	35	on	on	ADP
eurjchem-2480	71	36	u	u	NOUN
eurjchem-2480	71	37	as	as	ADP
eurjchem-2480	71	38	grwc2=	grwc2=	PROPN
eurjchem-2480	71	39	(	(	PUNCT
eurjchem-2480	71	40	p+qu2)|rw	p+qu2)|rw	INTJ
eurjchem-2480	71	41	–	–	PUNCT
eurjchem-2480	71	42	rc|2=	rc|2=	NOUN
eurjchem-2480	71	43	|prp+qu2rq	|prp+qu2rq	NOUN
eurjchem-2480	71	44	–	–	PUNCT
eurjchem-2480	71	45	grc|2	grc|2	VERB
eurjchem-2480	71	46	.	.	PUNCT
eurjchem-2480	72	1	unlike	unlike	ADP
eurjchem-2480	72	2	equation	equation	NOUN
eurjchem-2480	72	3	8	8	NUM
eurjchem-2480	72	4	,	,	PUNCT
eurjchem-2480	72	5	equation	equation	NOUN
eurjchem-2480	72	6	7	7	NUM
eurjchem-2480	72	7	calls	call	VERB
eurjchem-2480	72	8	for	for	SCONJ
eurjchem-2480	72	9	the	the	DET
eurjchem-2480	72	10	two	two	NUM
eurjchem-2480	72	11	-	-	PUNCT
eurjchem-2480	72	12	dimensional	dimensional	ADJ
eurjchem-2480	72	13	version	version	NOUN
eurjchem-2480	72	14	of	of	ADP
eurjchem-2480	72	15	the	the	DET
eurjchem-2480	72	16	boys	boy	NOUN
eurjchem-2480	72	17	function	function	VERB
eurjchem-2480	72	18	;	;	PUNCT
eurjchem-2480	72	19	see	see	VERB
eurjchem-2480	72	20	appendix	appendix	NOUN
eurjchem-2480	72	21	1	1	NUM
eurjchem-2480	72	22	.	.	PUNCT
eurjchem-2480	73	1	the	the	DET
eurjchem-2480	73	2	algorithm	algorithm	NOUN
eurjchem-2480	73	3	is	be	AUX
eurjchem-2480	73	4	straightforward	straightforward	ADJ
eurjchem-2480	73	5	for	for	ADP
eurjchem-2480	73	6	other	other	ADJ
eurjchem-2480	73	7	values	value	NOUN
eurjchem-2480	73	8	of	of	ADP
eurjchem-2480	73	9	(	(	PUNCT
eurjchem-2480	73	10	n	n	CCONJ
eurjchem-2480	73	11	,	,	PUNCT
eurjchem-2480	73	12	m	m	PROPN
eurjchem-2480	73	13	)	)	PUNCT
eurjchem-2480	73	14	.	.	PUNCT
eurjchem-2480	74	1	the	the	DET
eurjchem-2480	74	2	three	three	NUM
eurjchem-2480	74	3	-	-	PUNCT
eurjchem-2480	74	4	electron	electron	NOUN
eurjchem-2480	74	5	spherical	spherical	ADJ
eurjchem-2480	74	6	coulomb	coulomb	NOUN
eurjchem-2480	74	7	integral	integral	ADJ
eurjchem-2480	74	8	with	with	ADP
eurjchem-2480	74	9	r12	r12	NOUN
eurjchem-2480	74	10	-	-	PUNCT
eurjchem-2480	74	11	nr13	nr13	NOUN
eurjchem-2480	74	12	m	m	NOUN
eurjchem-2480	74	13	is	be	AUX
eurjchem-2480	74	14	vpqs(n	vpqs(n	VERB
eurjchem-2480	74	15	,	,	PUNCT
eurjchem-2480	74	16	m)≡	m)≡	NOUN
eurjchem-2480	74	17	∫(r9	∫(r9	NOUN
eurjchem-2480	74	18	)	)	PUNCT
eurjchem-2480	75	1	exp(-p	exp(-p	VERB
eurjchem-2480	76	1	rp12	rp12	PROPN
eurjchem-2480	76	2	)	)	PUNCT
eurjchem-2480	76	3	exp(-q	exp(-q	PROPN
eurjchem-2480	76	4	rq22	rq22	PROPN
eurjchem-2480	76	5	)	)	PUNCT
eurjchem-2480	76	6	exp(-s	exp(-s	PROPN
eurjchem-2480	76	7	rs32	rs32	PROPN
eurjchem-2480	76	8	)	)	PUNCT
eurjchem-2480	76	9	r12	r12	NOUN
eurjchem-2480	76	10	-	-	PUNCT
eurjchem-2480	76	11	nr13	nr13	PROPN
eurjchem-2480	76	12	-	-	PUNCT
eurjchem-2480	76	13	m	m	NOUN
eurjchem-2480	76	14	dr1dr2dr3	dr1dr2dr3	NOUN
eurjchem-2480	76	15	.	.	PUNCT
eurjchem-2480	77	1	for	for	ADP
eurjchem-2480	77	2	this	this	PRON
eurjchem-2480	77	3	,	,	PUNCT
eurjchem-2480	77	4	equation	equation	NOUN
eurjchem-2480	77	5	5	5	NUM
eurjchem-2480	77	6	provides	provide	VERB
eurjchem-2480	77	7	the	the	DET
eurjchem-2480	77	8	key	key	ADJ
eurjchem-2480	77	9	substitutions	substitution	NOUN
eurjchem-2480	77	10	to	to	PART
eurjchem-2480	77	11	integrate	integrate	VERB
eurjchem-2480	77	12	with	with	ADP
eurjchem-2480	77	13	r2	r2	PROPN
eurjchem-2480	77	14	and	and	CCONJ
eurjchem-2480	77	15	r3	r3	PROPN
eurjchem-2480	77	16	.	.	PUNCT
eurjchem-2480	78	1	for	for	ADP
eurjchem-2480	78	2	example	example	NOUN
eurjchem-2480	78	3	,	,	PUNCT
eurjchem-2480	78	4	for	for	ADP
eurjchem-2480	78	5	n	n	NOUN
eurjchem-2480	78	6	=	=	SYM
eurjchem-2480	78	7	m	m	NOUN
eurjchem-2480	78	8	=	=	SYM
eurjchem-2480	78	9	1	1	NUM
eurjchem-2480	78	10	,	,	PUNCT
eurjchem-2480	78	11	vq(n=1	vq(n=1	NOUN
eurjchem-2480	78	12	)	)	PUNCT
eurjchem-2480	79	1	=	=	SYM
eurjchem-2480	79	2	∫(r3)exp(-qrq22)r12	∫(r3)exp(-qrq22)r12	NUM
eurjchem-2480	79	3	-	-	SYM
eurjchem-2480	79	4	1dr2	1dr2	NUM
eurjchem-2480	79	5	=	=	SYM
eurjchem-2480	79	6	(	(	PUNCT
eurjchem-2480	79	7	2π	2π	NOUN
eurjchem-2480	79	8	/	/	SYM
eurjchem-2480	79	9	q)∫(0,1	q)∫(0,1	NOUN
eurjchem-2480	79	10	)	)	PUNCT
eurjchem-2480	79	11	exp(-qrq12	exp(-qrq12	PUNCT
eurjchem-2480	80	1	u2)du=	u2)du=	NOUN
eurjchem-2480	80	2	(	(	PUNCT
eurjchem-2480	80	3	2π	2π	NOUN
eurjchem-2480	80	4	/	/	SYM
eurjchem-2480	80	5	q)f0(qrq12	q)f0(qrq12	NOUN
eurjchem-2480	80	6	)	)	PUNCT
eurjchem-2480	80	7	(	(	PUNCT
eurjchem-2480	80	8	9	9	X
eurjchem-2480	80	9	)	)	PUNCT
eurjchem-2480	80	10	vs(m=1	vs(m=1	NOUN
eurjchem-2480	80	11	)	)	PUNCT
eurjchem-2480	80	12	=	=	SYM
eurjchem-2480	81	1	∫(r3)exp(-srs32)r13	∫(r3)exp(-srs32)r13	PROPN
eurjchem-2480	81	2	-	-	SYM
eurjchem-2480	81	3	1dr3	1dr3	NUM
eurjchem-2480	81	4	=	=	SYM
eurjchem-2480	81	5	(	(	PUNCT
eurjchem-2480	81	6	2π	2π	NOUN
eurjchem-2480	81	7	/	/	SYM
eurjchem-2480	81	8	s)∫(0,1)exp(-srs12	s)∫(0,1)exp(-srs12	NUM
eurjchem-2480	81	9	t2)dt=	t2)dt=	NOUN
eurjchem-2480	81	10	(	(	PUNCT
eurjchem-2480	81	11	2π	2π	NOUN
eurjchem-2480	81	12	/	/	SYM
eurjchem-2480	81	13	s)f0(srs12	s)f0(srs12	ADJ
eurjchem-2480	81	14	)	)	PUNCT
eurjchem-2480	81	15	(	(	PUNCT
eurjchem-2480	81	16	10	10	NUM
eurjchem-2480	81	17	)	)	PUNCT
eurjchem-2480	81	18	488	488	NUM
eurjchem-2480	81	19	sandor	sandor	PROPN
eurjchem-2480	81	20	kristyan	kristyan	PROPN
eurjchem-2480	81	21	/	/	SYM
eurjchem-2480	81	22	european	european	PROPN
eurjchem-2480	81	23	journal	journal	PROPN
eurjchem-2480	81	24	of	of	ADP
eurjchem-2480	81	25	chemistry	chemistry	NOUN
eurjchem-2480	81	26	14	14	NUM
eurjchem-2480	81	27	(	(	PUNCT
eurjchem-2480	81	28	4	4	NUM
eurjchem-2480	81	29	)	)	PUNCT
eurjchem-2480	81	30	(	(	PUNCT
eurjchem-2480	81	31	2023	2023	NUM
eurjchem-2480	81	32	)	)	PUNCT
eurjchem-2480	81	33	486	486	NUM
eurjchem-2480	81	34	-	-	SYM
eurjchem-2480	81	35	493	493	NUM
eurjchem-2480	81	36	2023	2023	NUM
eurjchem-2480	81	37	–	–	PUNCT
eurjchem-2480	81	38	european	european	ADJ
eurjchem-2480	81	39	journal	journal	NOUN
eurjchem-2480	81	40	of	of	ADP
eurjchem-2480	81	41	chemistry	chemistry	NOUN
eurjchem-2480	81	42	–	–	PUNCT
eurjchem-2480	81	43	cc	cc	NOUN
eurjchem-2480	81	44	by	by	ADP
eurjchem-2480	81	45	nc	nc	PROPN
eurjchem-2480	81	46	–	–	PUNCT
eurjchem-2480	81	47	doi	doi	PROPN
eurjchem-2480	81	48	:	:	PUNCT
eurjchem-2480	81	49	10.5155	10.5155	NUM
eurjchem-2480	81	50	/	/	SYM
eurjchem-2480	81	51	eurjchem.14.4.486	eurjchem.14.4.486	NUM
eurjchem-2480	81	52	-	-	PUNCT
eurjchem-2480	81	53	493.2480	493.2480	NOUN
eurjchem-2480	81	54	using	use	VERB
eurjchem-2480	81	55	the	the	DET
eurjchem-2480	81	56	same	same	ADJ
eurjchem-2480	81	57	tools	tool	NOUN
eurjchem-2480	81	58	again	again	ADV
eurjchem-2480	81	59	as	as	ADP
eurjchem-2480	81	60	above	above	ADV
eurjchem-2480	81	61	,	,	PUNCT
eurjchem-2480	81	62	with	with	ADP
eurjchem-2480	81	63	f≡	f≡	PRON
eurjchem-2480	81	64	pqrpq2u2+psrps2t2+qsrqs2u2t2	pqrpq2u2+psrps2t2+qsrqs2u2t2	ADJ
eurjchem-2480	81	65	and	and	CCONJ
eurjchem-2480	81	66	g≡	g≡	VERB
eurjchem-2480	81	67	p+qu2+st2	p+qu2+st2	NOUN
eurjchem-2480	81	68	,	,	PUNCT
eurjchem-2480	81	69	equations	equation	NOUN
eurjchem-2480	81	70	9	9	NUM
eurjchem-2480	81	71	and	and	CCONJ
eurjchem-2480	81	72	10	10	NUM
eurjchem-2480	81	73	yield	yield	NOUN
eurjchem-2480	81	74	vpqs(1,1)=	vpqs(1,1)=	NOUN
eurjchem-2480	81	75	(	(	PUNCT
eurjchem-2480	81	76	4π7/2/(qs))∫(0,1)∫(0,1	4π7/2/(qs))∫(0,1)∫(0,1	NOUN
eurjchem-2480	81	77	)	)	PUNCT
eurjchem-2480	81	78	g-3/2exp(-f	g-3/2exp(-f	NOUN
eurjchem-2480	81	79	/	/	SYM
eurjchem-2480	81	80	g)du	g)du	PROPN
eurjchem-2480	81	81	dt	dt	X
eurjchem-2480	81	82	(	(	PUNCT
eurjchem-2480	81	83	11	11	NUM
eurjchem-2480	81	84	)	)	PUNCT
eurjchem-2480	81	85	integration	integration	NOUN
eurjchem-2480	81	86	in	in	ADP
eurjchem-2480	81	87	equation	equation	NOUN
eurjchem-2480	81	88	11	11	NUM
eurjchem-2480	81	89	can	can	AUX
eurjchem-2480	81	90	be	be	AUX
eurjchem-2480	81	91	done	do	VERB
eurjchem-2480	81	92	numerically	numerically	ADV
eurjchem-2480	81	93	,	,	PUNCT
eurjchem-2480	81	94	which	which	PRON
eurjchem-2480	81	95	is	be	AUX
eurjchem-2480	81	96	still	still	ADV
eurjchem-2480	81	97	more	more	ADV
eurjchem-2480	81	98	stable	stable	ADJ
eurjchem-2480	81	99	and	and	CCONJ
eurjchem-2480	81	100	reliable	reliable	ADJ
eurjchem-2480	81	101	than	than	ADP
eurjchem-2480	81	102	equation	equation	NOUN
eurjchem-2480	81	103	52	52	NUM
eurjchem-2480	81	104	in	in	ADP
eurjchem-2480	81	105	the	the	DET
eurjchem-2480	81	106	reference	reference	NOUN
eurjchem-2480	81	107	[	[	X
eurjchem-2480	81	108	6	6	NUM
eurjchem-2480	81	109	]	]	PUNCT
eurjchem-2480	81	110	.	.	PUNCT
eurjchem-2480	82	1	(	(	PUNCT
eurjchem-2480	82	2	the	the	DET
eurjchem-2480	82	3	latter	latter	ADJ
eurjchem-2480	82	4	is	be	AUX
eurjchem-2480	82	5	basis	basis	NOUN
eurjchem-2480	82	6	-	-	PUNCT
eurjchem-2480	82	7	set	set	VERB
eurjchem-2480	82	8	dependent	dependent	ADJ
eurjchem-2480	82	9	and	and	CCONJ
eurjchem-2480	82	10	much	much	ADV
eurjchem-2480	82	11	more	more	ADV
eurjchem-2480	82	12	difficult	difficult	ADJ
eurjchem-2480	82	13	.	.	PUNCT
eurjchem-2480	82	14	)	)	PUNCT
eurjchem-2480	83	1	for	for	ADP
eurjchem-2480	83	2	n	n	PRON
eurjchem-2480	83	3	and/or	and/or	CCONJ
eurjchem-2480	83	4	m	m	PROPN
eurjchem-2480	83	5	=	=	SYM
eurjchem-2480	83	6	2	2	NUM
eurjchem-2480	83	7	cases	case	NOUN
eurjchem-2480	83	8	,	,	PUNCT
eurjchem-2480	83	9	equation	equation	NOUN
eurjchem-2480	83	10	5	5	NUM
eurjchem-2480	83	11	must	must	AUX
eurjchem-2480	83	12	be	be	AUX
eurjchem-2480	83	13	applied	apply	VERB
eurjchem-2480	83	14	analogously	analogously	ADV
eurjchem-2480	83	15	in	in	ADP
eurjchem-2480	83	16	the	the	DET
eurjchem-2480	83	17	evaluation	evaluation	NOUN
eurjchem-2480	83	18	,	,	PUNCT
eurjchem-2480	83	19	and	and	CCONJ
eurjchem-2480	83	20	the	the	DET
eurjchem-2480	83	21	algorithm	algorithm	NOUN
eurjchem-2480	83	22	is	be	AUX
eurjchem-2480	83	23	straightforward	straightforward	ADJ
eurjchem-2480	83	24	again	again	ADV
eurjchem-2480	83	25	.	.	PUNCT
eurjchem-2480	84	1	equations	equation	NOUN
eurjchem-2480	84	2	9	9	NUM
eurjchem-2480	84	3	and	and	CCONJ
eurjchem-2480	84	4	10	10	NUM
eurjchem-2480	84	5	were	be	AUX
eurjchem-2480	84	6	applied	apply	VERB
eurjchem-2480	84	7	to	to	ADP
eurjchem-2480	84	8	equation	equation	NOUN
eurjchem-2480	84	9	11	11	NUM
eurjchem-2480	84	10	that	that	PRON
eurjchem-2480	84	11	yields	yield	VERB
eurjchem-2480	84	12	a	a	DET
eurjchem-2480	84	13	two	two	NUM
eurjchem-2480	84	14	-	-	PUNCT
eurjchem-2480	84	15	dimensional	dimensional	ADJ
eurjchem-2480	84	16	integral	integral	ADJ
eurjchem-2480	84	17	on	on	ADP
eurjchem-2480	84	18	the	the	DET
eurjchem-2480	84	19	unit	unit	NOUN
eurjchem-2480	84	20	square	square	NOUN
eurjchem-2480	84	21	.	.	PUNCT
eurjchem-2480	85	1	another	another	DET
eurjchem-2480	85	2	way	way	NOUN
eurjchem-2480	85	3	is	be	AUX
eurjchem-2480	85	4	to	to	PART
eurjchem-2480	85	5	use	use	VERB
eurjchem-2480	85	6	equations	equation	NOUN
eurjchem-2480	85	7	8	8	NUM
eurjchem-2480	85	8	-	-	SYM
eurjchem-2480	85	9	10	10	NUM
eurjchem-2480	85	10	which	which	PRON
eurjchem-2480	85	11	require	require	VERB
eurjchem-2480	85	12	a	a	DET
eurjchem-2480	85	13	one	one	NUM
eurjchem-2480	85	14	-	-	PUNCT
eurjchem-2480	85	15	dimensional	dimensional	ADJ
eurjchem-2480	85	16	integral	integral	ADJ
eurjchem-2480	85	17	on	on	ADP
eurjchem-2480	85	18	a	a	DET
eurjchem-2480	85	19	unit	unit	NOUN
eurjchem-2480	85	20	segment	segment	NOUN
eurjchem-2480	85	21	only	only	ADV
eurjchem-2480	85	22	,	,	PUNCT
eurjchem-2480	85	23	and	and	CCONJ
eurjchem-2480	85	24	with	with	ADP
eurjchem-2480	85	25	rv≡	rv≡	PROPN
eurjchem-2480	85	26	(	(	PUNCT
eurjchem-2480	85	27	prp+	prp+	ADP
eurjchem-2480	85	28	qu2rq)/(p+	qu2rq)/(p+	PROPN
eurjchem-2480	85	29	qu2	qu2	PROPN
eurjchem-2480	85	30	)	)	PUNCT
eurjchem-2480	85	31	the	the	DET
eurjchem-2480	85	32	vpqs(1,1)=	vpqs(1,1)=	NOUN
eurjchem-2480	85	33	(	(	PUNCT
eurjchem-2480	85	34	4π7/2/(qs	4π7/2/(qs	PROPN
eurjchem-2480	85	35	)	)	PUNCT
eurjchem-2480	85	36	)	)	PUNCT
eurjchem-2480	85	37	∫(0,1	∫(0,1	ADV
eurjchem-2480	85	38	)	)	PUNCT
eurjchem-2480	85	39	h(u	h(u	PROPN
eurjchem-2480	85	40	)	)	PUNCT
eurjchem-2480	85	41	g-1exp(-f	g-1exp(-f	NOUN
eurjchem-2480	85	42	/	/	SYM
eurjchem-2480	85	43	g	g	NOUN
eurjchem-2480	85	44	)	)	PUNCT
eurjchem-2480	85	45	du	du	NOUN
eurjchem-2480	86	1	(	(	PUNCT
eurjchem-2480	86	2	12	12	NUM
eurjchem-2480	86	3	)	)	PUNCT
eurjchem-2480	86	4	in	in	ADP
eurjchem-2480	86	5	equation	equation	NOUN
eurjchem-2480	86	6	12	12	NUM
eurjchem-2480	86	7	,	,	PUNCT
eurjchem-2480	86	8	h(u)≡	h(u)≡	PROPN
eurjchem-2480	86	9	∫(0,c)exp(-g	∫(0,c)exp(-g	NUM
eurjchem-2480	86	10	s	s	NOUN
eurjchem-2480	86	11	rvs2	rvs2	PROPN
eurjchem-2480	86	12	w2)dw	w2)dw	PROPN
eurjchem-2480	86	13	,	,	PUNCT
eurjchem-2480	86	14	c≡	c≡	PUNCT
eurjchem-2480	86	15	(	(	PUNCT
eurjchem-2480	86	16	g+s)-1/2	g+s)-1/2	PROPN
eurjchem-2480	86	17	,	,	PUNCT
eurjchem-2480	86	18	f≡	f≡	X
eurjchem-2480	86	19	pqrpq2u2	pqrpq2u2	NOUN
eurjchem-2480	86	20	,	,	PUNCT
eurjchem-2480	86	21	and	and	CCONJ
eurjchem-2480	86	22	g≡	g≡	VERB
eurjchem-2480	86	23	p+qu2	p+qu2	VERB
eurjchem-2480	86	24	.	.	PUNCT
eurjchem-2480	87	1	equations	equation	NOUN
eurjchem-2480	87	2	11	11	NUM
eurjchem-2480	87	3	and	and	CCONJ
eurjchem-2480	87	4	12	12	NUM
eurjchem-2480	87	5	yield	yield	NOUN
eurjchem-2480	87	6	the	the	DET
eurjchem-2480	87	7	same	same	ADJ
eurjchem-2480	87	8	value	value	NOUN
eurjchem-2480	87	9	for	for	ADP
eurjchem-2480	87	10	vpqs(1,1	vpqs(1,1	NOUN
eurjchem-2480	87	11	)	)	PUNCT
eurjchem-2480	87	12	.	.	PUNCT
eurjchem-2480	88	1	the	the	DET
eurjchem-2480	88	2	h(u	h(u	PROPN
eurjchem-2480	88	3	)	)	PUNCT
eurjchem-2480	88	4	in	in	ADP
eurjchem-2480	88	5	equation	equation	NOUN
eurjchem-2480	88	6	12	12	NUM
eurjchem-2480	88	7	is	be	AUX
eurjchem-2480	88	8	the	the	DET
eurjchem-2480	88	9	prestage	prestage	NOUN
eurjchem-2480	88	10	of	of	ADP
eurjchem-2480	88	11	the	the	DET
eurjchem-2480	88	12	boys	boy	NOUN
eurjchem-2480	88	13	function	function	VERB
eurjchem-2480	88	14	f0	f0	PROPN
eurjchem-2480	88	15	.	.	PUNCT
eurjchem-2480	89	1	again	again	ADV
eurjchem-2480	89	2	,	,	PUNCT
eurjchem-2480	89	3	equation	equation	NOUN
eurjchem-2480	89	4	12	12	NUM
eurjchem-2480	89	5	is	be	AUX
eurjchem-2480	89	6	a	a	DET
eurjchem-2480	89	7	two	two	NUM
eurjchem-2480	89	8	-	-	PUNCT
eurjchem-2480	89	9	dimensional	dimensional	ADJ
eurjchem-2480	89	10	version	version	NOUN
eurjchem-2480	89	11	of	of	ADP
eurjchem-2480	89	12	the	the	DET
eurjchem-2480	89	13	boys	boy	NOUN
eurjchem-2480	89	14	function	function	VERB
eurjchem-2480	89	15	,	,	PUNCT
eurjchem-2480	89	16	where	where	SCONJ
eurjchem-2480	89	17	a	a	DET
eurjchem-2480	89	18	one	one	NUM
eurjchem-2480	89	19	-	-	PUNCT
eurjchem-2480	89	20	dimensional	dimensional	ADJ
eurjchem-2480	89	21	boys	boy	NOUN
eurjchem-2480	89	22	function	function	VERB
eurjchem-2480	89	23	is	be	AUX
eurjchem-2480	89	24	in	in	ADP
eurjchem-2480	89	25	the	the	DET
eurjchem-2480	89	26	integrand	integrand	NOUN
eurjchem-2480	89	27	.	.	PUNCT
eurjchem-2480	90	1	only	only	ADV
eurjchem-2480	90	2	these	these	DET
eurjchem-2480	90	3	small	small	ADJ
eurjchem-2480	90	4	,	,	PUNCT
eurjchem-2480	90	5	although	although	SCONJ
eurjchem-2480	90	6	useful	useful	ADJ
eurjchem-2480	90	7	,	,	PUNCT
eurjchem-2480	90	8	integer	integer	NOUN
eurjchem-2480	90	9	n	n	NOUN
eurjchem-2480	90	10	and	and	CCONJ
eurjchem-2480	90	11	m	m	PROPN
eurjchem-2480	90	12	values	value	NOUN
eurjchem-2480	90	13	are	be	AUX
eurjchem-2480	90	14	known	know	VERB
eurjchem-2480	90	15	for	for	ADP
eurjchem-2480	90	16	analytical	analytical	ADJ
eurjchem-2480	90	17	evaluation	evaluation	NOUN
eurjchem-2480	90	18	;	;	PUNCT
eurjchem-2480	90	19	for	for	ADP
eurjchem-2480	90	20	more	more	ADV
eurjchem-2480	90	21	flexible	flexible	ADJ
eurjchem-2480	90	22	real	real	ADJ
eurjchem-2480	90	23	values	value	NOUN
eurjchem-2480	90	24	,	,	PUNCT
eurjchem-2480	90	25	numerical	numerical	ADJ
eurjchem-2480	90	26	integration	integration	NOUN
eurjchem-2480	90	27	is	be	AUX
eurjchem-2480	90	28	necessary	necessary	ADJ
eurjchem-2480	90	29	,	,	PUNCT
eurjchem-2480	90	30	as	as	SCONJ
eurjchem-2480	90	31	introduced	introduce	VERB
eurjchem-2480	90	32	in	in	ADP
eurjchem-2480	90	33	the	the	DET
eurjchem-2480	90	34	next	next	ADJ
eurjchem-2480	90	35	chapter	chapter	NOUN
eurjchem-2480	90	36	.	.	PUNCT
eurjchem-2480	91	1	3	3	X
eurjchem-2480	91	2	.	.	X
eurjchem-2480	91	3	numerical	numerical	ADJ
eurjchem-2480	91	4	evaluations	evaluation	NOUN
eurjchem-2480	91	5	for	for	ADP
eurjchem-2480	91	6	real	real	ADJ
eurjchem-2480	91	7	n	n	CCONJ
eurjchem-2480	91	8	,	,	PUNCT
eurjchem-2480	91	9	m	m	VERB
eurjchem-2480	91	10	values	value	NOUN
eurjchem-2480	91	11	if	if	SCONJ
eurjchem-2480	91	12	beside	beside	ADV
eurjchem-2480	91	13	or	or	CCONJ
eurjchem-2480	91	14	instead	instead	ADV
eurjchem-2480	91	15	of	of	ADP
eurjchem-2480	91	16	the	the	DET
eurjchem-2480	91	17	gto	gto	PROPN
eurjchem-2480	91	18	,	,	PUNCT
eurjchem-2480	91	19	the	the	DET
eurjchem-2480	91	20	sto	sto	NOUN
eurjchem-2480	91	21	is	be	AUX
eurjchem-2480	91	22	also	also	ADV
eurjchem-2480	91	23	used	use	VERB
eurjchem-2480	91	24	and/or	and/or	CCONJ
eurjchem-2480	91	25	non	non	ADJ
eurjchem-2480	91	26	-	-	ADJ
eurjchem-2480	91	27	integer	integer	ADJ
eurjchem-2480	91	28	or	or	CCONJ
eurjchem-2480	91	29	higher	high	ADJ
eurjchem-2480	91	30	-	-	PUNCT
eurjchem-2480	91	31	value	value	NOUN
eurjchem-2480	91	32	integer	integer	NOUN
eurjchem-2480	91	33	powers	power	NOUN
eurjchem-2480	91	34	come	come	VERB
eurjchem-2480	91	35	up	up	ADP
eurjchem-2480	91	36	in	in	ADP
eurjchem-2480	91	37	electron	electron	NOUN
eurjchem-2480	91	38	-	-	PUNCT
eurjchem-2480	91	39	electron	electron	NOUN
eurjchem-2480	91	40	or	or	CCONJ
eurjchem-2480	91	41	electron	electron	NOUN
eurjchem-2480	91	42	-	-	PUNCT
eurjchem-2480	91	43	nuclear	nuclear	ADJ
eurjchem-2480	91	44	distances	distance	NOUN
eurjchem-2480	91	45	;	;	PUNCT
eurjchem-2480	91	46	analytic	analytic	ADJ
eurjchem-2480	91	47	evaluations	evaluation	NOUN
eurjchem-2480	91	48	are	be	AUX
eurjchem-2480	91	49	not	not	PART
eurjchem-2480	91	50	known	know	VERB
eurjchem-2480	91	51	and	and	CCONJ
eurjchem-2480	91	52	numerical	numerical	ADJ
eurjchem-2480	91	53	integration	integration	NOUN
eurjchem-2480	91	54	is	be	AUX
eurjchem-2480	91	55	necessary	necessary	ADJ
eurjchem-2480	91	56	.	.	PUNCT
eurjchem-2480	92	1	the	the	DET
eurjchem-2480	92	2	numerical	numerical	ADJ
eurjchem-2480	92	3	integration	integration	NOUN
eurjchem-2480	92	4	scheme	scheme	NOUN
eurjchem-2480	92	5	introduced	introduce	VERB
eurjchem-2480	92	6	is	be	AUX
eurjchem-2480	92	7	practically	practically	ADV
eurjchem-2480	92	8	the	the	DET
eurjchem-2480	92	9	same	same	ADJ
eurjchem-2480	92	10	for	for	ADP
eurjchem-2480	92	11	integer	integer	NOUN
eurjchem-2480	92	12	,	,	PUNCT
eurjchem-2480	92	13	non	non	ADJ
eurjchem-2480	92	14	-	-	ADJ
eurjchem-2480	92	15	integer	integer	ADJ
eurjchem-2480	92	16	,	,	PUNCT
eurjchem-2480	92	17	positive	positive	ADJ
eurjchem-2480	92	18	,	,	PUNCT
eurjchem-2480	92	19	or	or	CCONJ
eurjchem-2480	92	20	negative	negative	ADJ
eurjchem-2480	92	21	,	,	PUNCT
eurjchem-2480	92	22	i.e.	i.e.	X
eurjchem-2480	92	23	,	,	PUNCT
eurjchem-2480	92	24	real	real	ADJ
eurjchem-2480	92	25	(	(	PUNCT
eurjchem-2480	92	26	n	n	X
eurjchem-2480	92	27	,	,	PUNCT
eurjchem-2480	92	28	m	m	PROPN
eurjchem-2480	92	29	)	)	PUNCT
eurjchem-2480	92	30	,	,	PUNCT
eurjchem-2480	92	31	as	as	ADV
eurjchem-2480	92	32	well	well	ADV
eurjchem-2480	92	33	as	as	ADP
eurjchem-2480	92	34	for	for	ADP
eurjchem-2480	92	35	the	the	DET
eurjchem-2480	92	36	use	use	NOUN
eurjchem-2480	92	37	of	of	ADP
eurjchem-2480	92	38	gto	gto	PROPN
eurjchem-2480	92	39	or	or	CCONJ
eurjchem-2480	92	40	sto	sto	NOUN
eurjchem-2480	92	41	.	.	PUNCT
eurjchem-2480	93	1	we	we	PRON
eurjchem-2480	93	2	tested	test	VERB
eurjchem-2480	93	3	the	the	DET
eurjchem-2480	93	4	numerical	numerical	ADJ
eurjchem-2480	93	5	integration	integration	NOUN
eurjchem-2480	93	6	scheme	scheme	NOUN
eurjchem-2480	93	7	for	for	ADP
eurjchem-2480	93	8	n	n	CCONJ
eurjchem-2480	93	9	,	,	PUNCT
eurjchem-2480	93	10	m	m	VERB
eurjchem-2480	93	11	=	=	NOUN
eurjchem-2480	93	12	0	0	NUM
eurjchem-2480	93	13	,	,	PUNCT
eurjchem-2480	93	14	1	1	NUM
eurjchem-2480	93	15	,	,	PUNCT
eurjchem-2480	93	16	2	2	NUM
eurjchem-2480	93	17	,	,	PUNCT
eurjchem-2480	93	18	and	and	CCONJ
eurjchem-2480	93	19	gto	gto	PROPN
eurjchem-2480	93	20	,	,	PUNCT
eurjchem-2480	93	21	where	where	SCONJ
eurjchem-2480	93	22	analytical	analytical	ADJ
eurjchem-2480	93	23	integration	integration	NOUN
eurjchem-2480	93	24	is	be	AUX
eurjchem-2480	93	25	available	available	ADJ
eurjchem-2480	93	26	for	for	ADP
eurjchem-2480	93	27	comparison	comparison	NOUN
eurjchem-2480	93	28	,	,	PUNCT
eurjchem-2480	93	29	but	but	CCONJ
eurjchem-2480	93	30	the	the	DET
eurjchem-2480	93	31	scheme	scheme	NOUN
eurjchem-2480	93	32	works	work	VERB
eurjchem-2480	93	33	for	for	ADP
eurjchem-2480	93	34	all	all	DET
eurjchem-2480	93	35	cases	case	NOUN
eurjchem-2480	93	36	mentioned	mention	VERB
eurjchem-2480	93	37	.	.	PUNCT
eurjchem-2480	94	1	the	the	DET
eurjchem-2480	94	2	extension	extension	NOUN
eurjchem-2480	94	3	of	of	ADP
eurjchem-2480	94	4	the	the	DET
eurjchem-2480	94	5	known	know	VERB
eurjchem-2480	94	6	dft	dft	PROPN
eurjchem-2480	94	7	numerical	numerical	PROPN
eurjchem-2480	94	8	integration	integration	NOUN
eurjchem-2480	94	9	scheme	scheme	NOUN
eurjchem-2480	94	10	from	from	ADP
eurjchem-2480	94	11	3	3	NUM
eurjchem-2480	94	12	to	to	ADP
eurjchem-2480	94	13	6	6	NUM
eurjchem-2480	94	14	and	and	CCONJ
eurjchem-2480	94	15	9	9	NUM
eurjchem-2480	94	16	dimensions	dimension	NOUN
eurjchem-2480	94	17	follows	follow	VERB
eurjchem-2480	94	18	.	.	PUNCT
eurjchem-2480	95	1	this	this	DET
eurjchem-2480	95	2	numerical	numerical	ADJ
eurjchem-2480	95	3	integration	integration	NOUN
eurjchem-2480	95	4	scheme	scheme	NOUN
eurjchem-2480	95	5	comes	come	VERB
eurjchem-2480	95	6	from	from	ADP
eurjchem-2480	95	7	becke	becke	NOUN
eurjchem-2480	95	8	’s	’s	PART
eurjchem-2480	95	9	method	method	NOUN
eurjchem-2480	95	10	for	for	ADP
eurjchem-2480	95	11	radial	radial	ADJ
eurjchem-2480	95	12	integration	integration	NOUN
eurjchem-2480	95	13	[	[	X
eurjchem-2480	95	14	9	9	NUM
eurjchem-2480	95	15	]	]	PUNCT
eurjchem-2480	95	16	and	and	CCONJ
eurjchem-2480	95	17	lebedev	lebedev	PROPN
eurjchem-2480	95	18	’s	’s	PART
eurjchem-2480	95	19	method	method	NOUN
eurjchem-2480	95	20	for	for	ADP
eurjchem-2480	95	21	spherical	spherical	ADJ
eurjchem-2480	95	22	integration	integration	NOUN
eurjchem-2480	95	23	[	[	X
eurjchem-2480	95	24	10,11	10,11	NOUN
eurjchem-2480	95	25	]	]	PUNCT
eurjchem-2480	95	26	,	,	PUNCT
eurjchem-2480	95	27	as	as	ADV
eurjchem-2480	95	28	well	well	ADV
eurjchem-2480	95	29	as	as	ADP
eurjchem-2480	95	30	the	the	DET
eurjchem-2480	95	31	concept	concept	NOUN
eurjchem-2480	95	32	of	of	ADP
eurjchem-2480	95	33	voronoi	voronoi	ADJ
eurjchem-2480	95	34	polygons	polygon	NOUN
eurjchem-2480	95	35	(	(	PUNCT
eurjchem-2480	95	36	that	that	PRON
eurjchem-2480	95	37	is	is	ADV
eurjchem-2480	95	38	,	,	PUNCT
eurjchem-2480	95	39	geometrically	geometrically	ADV
eurjchem-2480	95	40	atomic	atomic	ADJ
eurjchem-2480	95	41	partition	partition	NOUN
eurjchem-2480	95	42	of	of	ADP
eurjchem-2480	95	43	the	the	DET
eurjchem-2480	95	44	molecular	molecular	ADJ
eurjchem-2480	95	45	frame	frame	NOUN
eurjchem-2480	95	46	)	)	PUNCT
eurjchem-2480	95	47	.	.	PUNCT
eurjchem-2480	96	1	for	for	ADP
eurjchem-2480	96	2	a	a	DET
eurjchem-2480	96	3	one	one	NUM
eurjchem-2480	96	4	-	-	PUNCT
eurjchem-2480	96	5	electron	electron	NOUN
eurjchem-2480	96	6	density	density	NOUN
eurjchem-2480	96	7	with	with	ADP
eurjchem-2480	96	8	the	the	DET
eurjchem-2480	96	9	shape	shape	NOUN
eurjchem-2480	96	10	of	of	ADP
eurjchem-2480	96	11	the	the	DET
eurjchem-2480	96	12	lc	lc	NOUN
eurjchem-2480	96	13	of	of	ADP
eurjchem-2480	96	14	gto	gto	PROPN
eurjchem-2480	96	15	or	or	CCONJ
eurjchem-2480	96	16	sto	sto	NOUN
eurjchem-2480	96	17	in	in	ADP
eurjchem-2480	96	18	equation	equation	NOUN
eurjchem-2480	96	19	1	1	NUM
eurjchem-2480	96	20	,	,	PUNCT
eurjchem-2480	96	21	this	this	DET
eurjchem-2480	96	22	scheme	scheme	NOUN
eurjchem-2480	96	23	falls	fall	VERB
eurjchem-2480	96	24	into	into	ADP
eurjchem-2480	96	25	the	the	DET
eurjchem-2480	96	26	simple	simple	ADJ
eurjchem-2480	96	27	sum	sum	NOUN
eurjchem-2480	96	28	.	.	PUNCT
eurjchem-2480	97	1	∫f(ρ(1))dr1	∫f(ρ(1))dr1	X
eurjchem-2480	98	1	≈	≈	NUM
eurjchem-2480	98	2	∑k=1,	∑k=1,	NOUN
eurjchem-2480	98	3	…	…	PUNCT
eurjchem-2480	98	4	,l	,l	X
eurjchem-2480	98	5	ck	ck	NOUN
eurjchem-2480	98	6	f(ρ(qk	f(ρ(qk	NOUN
eurjchem-2480	98	7	)	)	PUNCT
eurjchem-2480	98	8	)	)	PUNCT
eurjchem-2480	98	9	(	(	PUNCT
eurjchem-2480	98	10	13	13	NUM
eurjchem-2480	98	11	)	)	PUNCT
eurjchem-2480	98	12	mathematically	mathematically	ADV
eurjchem-2480	98	13	,	,	PUNCT
eurjchem-2480	98	14	we	we	PRON
eurjchem-2480	98	15	are	be	AUX
eurjchem-2480	98	16	interested	interested	ADJ
eurjchem-2480	98	17	in	in	ADP
eurjchem-2480	98	18	smooth	smooth	ADJ
eurjchem-2480	98	19	(	(	PUNCT
eurjchem-2480	98	20	differentiable	differentiable	ADJ
eurjchem-2480	98	21	)	)	PUNCT
eurjchem-2480	98	22	functions	function	NOUN
eurjchem-2480	98	23	f	f	PROPN
eurjchem-2480	98	24	and	and	CCONJ
eurjchem-2480	98	25	ρ	ρ	PROPN
eurjchem-2480	98	26	,	,	PUNCT
eurjchem-2480	98	27	as	as	ADV
eurjchem-2480	98	28	well	well	ADV
eurjchem-2480	98	29	as	as	ADP
eurjchem-2480	98	30	ρ	ρ	PROPN
eurjchem-2480	98	31	,	,	PUNCT
eurjchem-2480	98	32	which	which	PRON
eurjchem-2480	98	33	is	be	AUX
eurjchem-2480	98	34	peaking	peak	VERB
eurjchem-2480	98	35	in	in	ADP
eurjchem-2480	98	36	the	the	DET
eurjchem-2480	98	37	nucleus	nucleus	NOUN
eurjchem-2480	98	38	.	.	PUNCT
eurjchem-2480	99	1	equation	equation	NOUN
eurjchem-2480	99	2	13	13	NUM
eurjchem-2480	99	3	works	work	NOUN
eurjchem-2480	99	4	with	with	ADP
eurjchem-2480	99	5	special	special	ADJ
eurjchem-2480	99	6	rigorous	rigorous	ADJ
eurjchem-2480	99	7	weights	weight	NOUN
eurjchem-2480	99	8	{	{	PUNCT
eurjchem-2480	99	9	ck	ck	NOUN
eurjchem-2480	99	10	}	}	PUNCT
eurjchem-2480	99	11	and	and	CCONJ
eurjchem-2480	99	12	coordinates	coordinate	NOUN
eurjchem-2480	99	13	{	{	PUNCT
eurjchem-2480	99	14	qk	qk	INTJ
eurjchem-2480	99	15	}	}	PUNCT
eurjchem-2480	99	16	in	in	ADP
eurjchem-2480	99	17	3	3	NUM
eurjchem-2480	99	18	dimensions	dimension	NOUN
eurjchem-2480	99	19	[	[	PUNCT
eurjchem-2480	99	20	9	9	NUM
eurjchem-2480	99	21	-	-	SYM
eurjchem-2480	99	22	11	11	NUM
eurjchem-2480	99	23	]	]	PUNCT
eurjchem-2480	99	24	,	,	PUNCT
eurjchem-2480	99	25	estimating	estimate	VERB
eurjchem-2480	99	26	the	the	DET
eurjchem-2480	99	27	integral	integral	ADJ
eurjchem-2480	99	28	accurately	accurately	ADV
eurjchem-2480	99	29	.	.	PUNCT
eurjchem-2480	100	1	typical	typical	ADJ
eurjchem-2480	100	2	choices	choice	NOUN
eurjchem-2480	100	3	for	for	ADP
eurjchem-2480	100	4	l	l	NOUN
eurjchem-2480	100	5	=	=	SYM
eurjchem-2480	100	6	lrls	lrl	NOUN
eurjchem-2480	100	7	include	include	VERB
eurjchem-2480	100	8	lr	lr	NOUN
eurjchem-2480	100	9	=	=	SYM
eurjchem-2480	100	10	20	20	NUM
eurjchem-2480	100	11	,	,	PUNCT
eurjchem-2480	100	12	...	...	PUNCT
eurjchem-2480	100	13	,	,	PUNCT
eurjchem-2480	100	14	200	200	NUM
eurjchem-2480	100	15	radial	radial	ADJ
eurjchem-2480	100	16	points	point	NOUN
eurjchem-2480	100	17	(	(	PUNCT
eurjchem-2480	100	18	chebyshev	chebyshev	NOUN
eurjchem-2480	100	19	)	)	PUNCT
eurjchem-2480	100	20	and	and	CCONJ
eurjchem-2480	100	21	ls	ls	ADJ
eurjchem-2480	100	22	=	=	NOUN
eurjchem-2480	100	23	20	20	NUM
eurjchem-2480	100	24	,	,	PUNCT
eurjchem-2480	100	25	86	86	NUM
eurjchem-2480	100	26	,	,	PUNCT
eurjchem-2480	100	27	302	302	NUM
eurjchem-2480	100	28	spherical	spherical	ADJ
eurjchem-2480	100	29	points	point	NOUN
eurjchem-2480	100	30	(	(	PUNCT
eurjchem-2480	100	31	lebedev	lebedev	NOUN
eurjchem-2480	100	32	)	)	PUNCT
eurjchem-2480	100	33	.	.	PUNCT
eurjchem-2480	101	1	equation	equation	NOUN
eurjchem-2480	101	2	13	13	NUM
eurjchem-2480	101	3	is	be	AUX
eurjchem-2480	101	4	widely	widely	ADV
eurjchem-2480	101	5	tested	test	VERB
eurjchem-2480	101	6	in	in	ADP
eurjchem-2480	101	7	cc	cc	PROPN
eurjchem-2480	101	8	via	via	ADP
eurjchem-2480	101	9	dft	dft	PROPN
eurjchem-2480	101	10	in	in	ADP
eurjchem-2480	101	11	cqc	cqc	PROPN
eurjchem-2480	101	12	.	.	PUNCT
eurjchem-2480	102	1	we	we	PRON
eurjchem-2480	102	2	mention	mention	VERB
eurjchem-2480	102	3	that	that	SCONJ
eurjchem-2480	102	4	the	the	DET
eurjchem-2480	102	5	voronoi	voronoi	ADJ
eurjchem-2480	102	6	participation	participation	NOUN
eurjchem-2480	102	7	of	of	ADP
eurjchem-2480	102	8	atoms	atom	NOUN
eurjchem-2480	102	9	in	in	ADP
eurjchem-2480	102	10	molecular	molecular	ADJ
eurjchem-2480	102	11	frames	frame	NOUN
eurjchem-2480	102	12	provides	provide	VERB
eurjchem-2480	102	13	another	another	DET
eurjchem-2480	102	14	definition	definition	NOUN
eurjchem-2480	102	15	of	of	ADP
eurjchem-2480	102	16	partial	partial	ADJ
eurjchem-2480	102	17	charges	charge	NOUN
eurjchem-2480	102	18	[	[	X
eurjchem-2480	102	19	7	7	X
eurjchem-2480	102	20	]	]	PUNCT
eurjchem-2480	102	21	using	use	VERB
eurjchem-2480	102	22	numerical	numerical	ADJ
eurjchem-2480	102	23	integration	integration	NOUN
eurjchem-2480	102	24	in	in	ADP
eurjchem-2480	102	25	equation	equation	NOUN
eurjchem-2480	102	26	13	13	NUM
eurjchem-2480	102	27	.	.	PUNCT
eurjchem-2480	103	1	the	the	DET
eurjchem-2480	103	2	f	f	PROPN
eurjchem-2480	103	3	in	in	ADP
eurjchem-2480	103	4	equation	equation	NOUN
eurjchem-2480	103	5	13	13	NUM
eurjchem-2480	103	6	are	be	AUX
eurjchem-2480	103	7	special	special	ADJ
eurjchem-2480	103	8	functions	function	NOUN
eurjchem-2480	103	9	[	[	X
eurjchem-2480	103	10	16	16	NUM
eurjchem-2480	103	11	]	]	PUNCT
eurjchem-2480	103	12	for	for	ADP
eurjchem-2480	103	13	cc	cc	PROPN
eurjchem-2480	103	14	in	in	ADP
eurjchem-2480	103	15	current	current	ADJ
eurjchem-2480	103	16	dft	dft	NOUN
eurjchem-2480	103	17	methods	method	NOUN
eurjchem-2480	103	18	,	,	PUNCT
eurjchem-2480	103	19	typically	typically	ADV
eurjchem-2480	103	20	nonlinear	nonlinear	ADJ
eurjchem-2480	103	21	in	in	ADP
eurjchem-2480	103	22	ρ	ρ	PROPN
eurjchem-2480	103	23	,	,	PUNCT
eurjchem-2480	103	24	so	so	ADV
eurjchem-2480	103	25	analytical	analytical	ADJ
eurjchem-2480	103	26	integration	integration	NOUN
eurjchem-2480	103	27	is	be	AUX
eurjchem-2480	103	28	generally	generally	ADV
eurjchem-2480	103	29	not	not	PART
eurjchem-2480	103	30	available	available	ADJ
eurjchem-2480	103	31	.	.	PUNCT
eurjchem-2480	104	1	the	the	DET
eurjchem-2480	104	2	main	main	ADJ
eurjchem-2480	104	3	idea	idea	NOUN
eurjchem-2480	104	4	is	be	AUX
eurjchem-2480	104	5	the	the	DET
eurjchem-2480	104	6	generalization	generalization	NOUN
eurjchem-2480	104	7	[	[	X
eurjchem-2480	104	8	17	17	NUM
eurjchem-2480	104	9	]	]	PUNCT
eurjchem-2480	104	10	of	of	ADP
eurjchem-2480	104	11	equation	equation	NOUN
eurjchem-2480	104	12	13	13	NUM
eurjchem-2480	104	13	as	as	ADP
eurjchem-2480	104	14	∫f(ρ(1),ρ(2),ρ(3))dr1dr2dr3	∫f(ρ(1),ρ(2),ρ(3))dr1dr2dr3	PROPN
eurjchem-2480	104	15	≈	≈	PROPN
eurjchem-2480	104	16	∑a	∑a	PROPN
eurjchem-2480	104	17	,	,	PUNCT
eurjchem-2480	104	18	b	b	NOUN
eurjchem-2480	104	19	,	,	PUNCT
eurjchem-2480	104	20	c	c	PROPN
eurjchem-2480	104	21	cacbcc	cacbcc	ADV
eurjchem-2480	104	22	f(ρ(qa),ρ(qb),ρ(qc	f(ρ(qa),ρ(qb),ρ(qc	VERB
eurjchem-2480	104	23	)	)	PUNCT
eurjchem-2480	104	24	)	)	PUNCT
eurjchem-2480	104	25	with	with	ADP
eurjchem-2480	104	26	f≡	f≡	X
eurjchem-2480	104	27	ρ(1)ρ(2)ρ(3)w(1,2,3	ρ(1)ρ(2)ρ(3)w(1,2,3	NOUN
eurjchem-2480	104	28	)	)	PUNCT
eurjchem-2480	104	29	(	(	PUNCT
eurjchem-2480	104	30	14	14	NUM
eurjchem-2480	104	31	)	)	PUNCT
eurjchem-2480	104	32	the	the	DET
eurjchem-2480	104	33	f	f	PROPN
eurjchem-2480	104	34	in	in	ADP
eurjchem-2480	104	35	equation	equation	NOUN
eurjchem-2480	104	36	14	14	NUM
eurjchem-2480	104	37	is	be	AUX
eurjchem-2480	104	38	the	the	DET
eurjchem-2480	104	39	only	only	ADV
eurjchem-2480	104	40	a	a	DET
eurjchem-2480	104	41	particular	particular	ADJ
eurjchem-2480	104	42	case	case	NOUN
eurjchem-2480	104	43	of	of	ADP
eurjchem-2480	104	44	cc	cc	PROPN
eurjchem-2480	104	45	,	,	PUNCT
eurjchem-2480	104	46	see	see	VERB
eurjchem-2480	104	47	appendix	appendix	NOUN
eurjchem-2480	104	48	2	2	NUM
eurjchem-2480	104	49	.	.	PUNCT
eurjchem-2480	105	1	if	if	SCONJ
eurjchem-2480	105	2	w	w	NOUN
eurjchem-2480	105	3	=	=	SYM
eurjchem-2480	105	4	w(1)w(2)w(3	w(1)w(2)w(3	NOUN
eurjchem-2480	105	5	)	)	PUNCT
eurjchem-2480	105	6	,	,	PUNCT
eurjchem-2480	105	7	e.g.	e.g.	ADV
eurjchem-2480	105	8	,	,	PUNCT
eurjchem-2480	105	9	w	w	PROPN
eurjchem-2480	105	10	=	=	SYM
eurjchem-2480	105	11	rd1	rd1	PROPN
eurjchem-2480	105	12	-	-	PUNCT
eurjchem-2480	105	13	3re24	3re24	NUM
eurjchem-2480	105	14	or	or	CCONJ
eurjchem-2480	105	15	the	the	DET
eurjchem-2480	105	16	simplest	simple	ADJ
eurjchem-2480	105	17	w	w	NOUN
eurjchem-2480	105	18	=	=	SYM
eurjchem-2480	105	19	1	1	NUM
eurjchem-2480	105	20	,	,	PUNCT
eurjchem-2480	105	21	etc	etc	X
eurjchem-2480	105	22	.	.	X
eurjchem-2480	105	23	,	,	PUNCT
eurjchem-2480	105	24	that	that	ADV
eurjchem-2480	105	25	is	is	ADV
eurjchem-2480	105	26	,	,	PUNCT
eurjchem-2480	105	27	no	no	DET
eurjchem-2480	105	28	coupling	coupling	NOUN
eurjchem-2480	105	29	as	as	ADP
eurjchem-2480	105	30	w	w	PROPN
eurjchem-2480	105	31	=	=	SYM
eurjchem-2480	105	32	r12	r12	NOUN
eurjchem-2480	105	33	-	-	PUNCT
eurjchem-2480	105	34	n	n	NOUN
eurjchem-2480	105	35	for	for	ADP
eurjchem-2480	105	36	example	example	NOUN
eurjchem-2480	105	37	,	,	PUNCT
eurjchem-2480	105	38	equation	equation	NOUN
eurjchem-2480	105	39	14	14	NUM
eurjchem-2480	105	40	reduces	reduce	VERB
eurjchem-2480	105	41	to	to	ADP
eurjchem-2480	105	42	the	the	DET
eurjchem-2480	105	43	product	product	NOUN
eurjchem-2480	105	44	of	of	ADP
eurjchem-2480	105	45	three	three	NUM
eurjchem-2480	105	46	in	in	ADP
eurjchem-2480	105	47	equation	equation	NOUN
eurjchem-2480	105	48	13	13	NUM
eurjchem-2480	105	49	.	.	PUNCT
eurjchem-2480	106	1	otherwise	otherwise	ADV
eurjchem-2480	106	2	,	,	PUNCT
eurjchem-2480	106	3	equation	equation	NOUN
eurjchem-2480	106	4	14	14	NUM
eurjchem-2480	106	5	is	be	AUX
eurjchem-2480	106	6	an	an	DET
eurjchem-2480	106	7	effective	effective	ADJ
eurjchem-2480	106	8	extension	extension	NOUN
eurjchem-2480	106	9	of	of	ADP
eurjchem-2480	106	10	equation	equation	NOUN
eurjchem-2480	106	11	13	13	NUM
eurjchem-2480	106	12	from	from	ADP
eurjchem-2480	106	13	3	3	NUM
eurjchem-2480	106	14	to	to	ADP
eurjchem-2480	106	15	9	9	NUM
eurjchem-2480	106	16	dimensions	dimension	NOUN
eurjchem-2480	106	17	.	.	PUNCT
eurjchem-2480	107	1	the	the	DET
eurjchem-2480	107	2	extension	extension	NOUN
eurjchem-2480	107	3	to	to	ADP
eurjchem-2480	107	4	the	the	DET
eurjchem-2480	107	5	6	6	NUM
eurjchem-2480	107	6	dimension	dimension	NOUN
eurjchem-2480	107	7	case	case	NOUN
eurjchem-2480	107	8	,	,	PUNCT
eurjchem-2480	107	9	∫f(ρ(1)ρ(2))dr1dr2	∫f(ρ(1)ρ(2))dr1dr2	ADJ
eurjchem-2480	107	10	,	,	PUNCT
eurjchem-2480	107	11	is	be	AUX
eurjchem-2480	107	12	obviously	obviously	ADV
eurjchem-2480	107	13	a	a	DET
eurjchem-2480	107	14	simple	simple	ADJ
eurjchem-2480	107	15	algebraic	algebraic	ADJ
eurjchem-2480	107	16	reduction	reduction	NOUN
eurjchem-2480	107	17	of	of	ADP
eurjchem-2480	107	18	equation	equation	NOUN
eurjchem-2480	107	19	14	14	NUM
eurjchem-2480	107	20	to	to	ADP
eurjchem-2480	107	21	the	the	DET
eurjchem-2480	107	22	analogous	analogous	ADJ
eurjchem-2480	107	23	expression	expression	NOUN
eurjchem-2480	107	24	with	with	ADP
eurjchem-2480	107	25	the	the	DET
eurjchem-2480	107	26	sum	sum	NOUN
eurjchem-2480	107	27	∑a	∑a	PROPN
eurjchem-2480	107	28	,	,	PUNCT
eurjchem-2480	107	29	b.	b.	PROPN
eurjchem-2480	107	30	importantly	importantly	ADV
eurjchem-2480	107	31	,	,	PUNCT
eurjchem-2480	107	32	the	the	DET
eurjchem-2480	107	33	set	set	NOUN
eurjchem-2480	107	34	{	{	PUNCT
eurjchem-2480	107	35	ck	ck	PROPN
eurjchem-2480	107	36	,	,	PUNCT
eurjchem-2480	107	37	qk	qk	NOUN
eurjchem-2480	107	38	}	}	PUNCT
eurjchem-2480	107	39	in	in	ADP
eurjchem-2480	107	40	equation	equation	NOUN
eurjchem-2480	107	41	14	14	NUM
eurjchem-2480	107	42	is	be	AUX
eurjchem-2480	107	43	exactly	exactly	ADV
eurjchem-2480	107	44	the	the	DET
eurjchem-2480	107	45	same	same	ADJ
eurjchem-2480	107	46	kind	kind	NOUN
eurjchem-2480	107	47	/	/	SYM
eurjchem-2480	107	48	set	set	NOUN
eurjchem-2480	107	49	as	as	ADP
eurjchem-2480	107	50	in	in	ADP
eurjchem-2480	107	51	equation	equation	NOUN
eurjchem-2480	107	52	13	13	NUM
eurjchem-2480	107	53	,	,	PUNCT
eurjchem-2480	107	54	see	see	VERB
eurjchem-2480	107	55	a	a	DET
eurjchem-2480	107	56	simple	simple	ADJ
eurjchem-2480	107	57	restriction	restriction	NOUN
eurjchem-2480	107	58	below	below	ADV
eurjchem-2480	107	59	.	.	PUNCT
eurjchem-2480	108	1	simply	simply	ADV
eurjchem-2480	108	2	put	put	VERB
eurjchem-2480	108	3	,	,	PUNCT
eurjchem-2480	108	4	a	a	DET
eurjchem-2480	108	5	,	,	PUNCT
eurjchem-2480	108	6	b	b	NOUN
eurjchem-2480	108	7	,	,	PUNCT
eurjchem-2480	108	8	and	and	CCONJ
eurjchem-2480	108	9	c	c	PROPN
eurjchem-2480	108	10	run	run	VERB
eurjchem-2480	108	11	for	for	ADP
eurjchem-2480	108	12	the	the	DET
eurjchem-2480	108	13	same	same	ADJ
eurjchem-2480	108	14	1	1	NUM
eurjchem-2480	108	15	,	,	PUNCT
eurjchem-2480	108	16	2	2	NUM
eurjchem-2480	108	17	,	,	PUNCT
eurjchem-2480	108	18	…	…	PUNCT
eurjchem-2480	108	19	,	,	PUNCT
eurjchem-2480	108	20	l	l	NOUN
eurjchem-2480	108	21	points	point	NOUN
eurjchem-2480	108	22	,	,	PUNCT
eurjchem-2480	108	23	so	so	SCONJ
eurjchem-2480	108	24	equation	equation	NOUN
eurjchem-2480	108	25	14	14	NUM
eurjchem-2480	108	26	contains	contain	VERB
eurjchem-2480	108	27	l2	l2	NOUN
eurjchem-2480	108	28	terms	term	NOUN
eurjchem-2480	108	29	for	for	ADP
eurjchem-2480	108	30	the	the	DET
eurjchem-2480	108	31	case	case	NOUN
eurjchem-2480	108	32	f(ρ(1)ρ(2	f(ρ(1)ρ(2	NOUN
eurjchem-2480	108	33	)	)	PUNCT
eurjchem-2480	108	34	)	)	PUNCT
eurjchem-2480	108	35	or	or	CCONJ
eurjchem-2480	108	36	l3	l3	PROPN
eurjchem-2480	108	37	terms	term	NOUN
eurjchem-2480	108	38	for	for	ADP
eurjchem-2480	108	39	the	the	DET
eurjchem-2480	108	40	case	case	NOUN
eurjchem-2480	108	41	f(ρ(1)ρ(2)ρ(3	f(ρ(1)ρ(2)ρ(3	VERB
eurjchem-2480	108	42	)	)	PUNCT
eurjchem-2480	108	43	)	)	PUNCT
eurjchem-2480	108	44	in	in	ADP
eurjchem-2480	108	45	specific	specific	ADJ
eurjchem-2480	108	46	calculations	calculation	NOUN
eurjchem-2480	108	47	.	.	PUNCT
eurjchem-2480	109	1	important	important	ADJ
eurjchem-2480	109	2	is	be	AUX
eurjchem-2480	109	3	to	to	PART
eurjchem-2480	109	4	choose	choose	VERB
eurjchem-2480	109	5	(	(	PUNCT
eurjchem-2480	109	6	slightly	slightly	ADV
eurjchem-2480	109	7	)	)	PUNCT
eurjchem-2480	109	8	different	different	ADJ
eurjchem-2480	109	9	point	point	NOUN
eurjchem-2480	109	10	sets	set	VERB
eurjchem-2480	109	11	{	{	PUNCT
eurjchem-2480	109	12	ck	ck	INTJ
eurjchem-2480	109	13	,	,	PUNCT
eurjchem-2480	109	14	qk	qk	NOUN
eurjchem-2480	109	15	}	}	PUNCT
eurjchem-2480	109	16	among	among	ADP
eurjchem-2480	109	17	the	the	DET
eurjchem-2480	109	18	two	two	NUM
eurjchem-2480	109	19	(	(	PUNCT
eurjchem-2480	109	20	i	i	NOUN
eurjchem-2480	109	21	=	=	NOUN
eurjchem-2480	109	22	1	1	NUM
eurjchem-2480	109	23	,	,	PUNCT
eurjchem-2480	109	24	2	2	NUM
eurjchem-2480	109	25	)	)	PUNCT
eurjchem-2480	109	26	as	as	ADV
eurjchem-2480	109	27	well	well	ADV
eurjchem-2480	109	28	as	as	ADP
eurjchem-2480	109	29	among	among	ADP
eurjchem-2480	109	30	the	the	DET
eurjchem-2480	109	31	three	three	NUM
eurjchem-2480	109	32	(	(	PUNCT
eurjchem-2480	109	33	i	i	NOUN
eurjchem-2480	109	34	=	=	NOUN
eurjchem-2480	109	35	1	1	NUM
eurjchem-2480	109	36	,	,	PUNCT
eurjchem-2480	109	37	2	2	NUM
eurjchem-2480	109	38	,	,	PUNCT
eurjchem-2480	109	39	3	3	X
eurjchem-2480	109	40	)	)	PUNCT
eurjchem-2480	109	41	variables	variable	NOUN
eurjchem-2480	109	42	ri	ri	PROPN
eurjchem-2480	109	43	(	(	PUNCT
eurjchem-2480	109	44	via	via	ADP
eurjchem-2480	109	45	lr	lr	NOUN
eurjchem-2480	109	46	and	and	CCONJ
eurjchem-2480	109	47	ls	ls	PROPN
eurjchem-2480	109	48	)	)	PUNCT
eurjchem-2480	109	49	,	,	PUNCT
eurjchem-2480	109	50	as	as	SCONJ
eurjchem-2480	109	51	detailed	detailed	ADJ
eurjchem-2480	109	52	in	in	ADP
eurjchem-2480	109	53	the	the	DET
eurjchem-2480	109	54	reference	reference	NOUN
eurjchem-2480	109	55	[	[	X
eurjchem-2480	109	56	17	17	NUM
eurjchem-2480	109	57	]	]	PUNCT
eurjchem-2480	109	58	.	.	PUNCT
eurjchem-2480	110	1	the	the	DET
eurjchem-2480	110	2	latter	latter	ADJ
eurjchem-2480	110	3	technically	technically	ADV
eurjchem-2480	110	4	avoids	avoid	VERB
eurjchem-2480	110	5	singularities	singularity	NOUN
eurjchem-2480	110	6	from	from	ADP
eurjchem-2480	110	7	reciprocal	reciprocal	ADJ
eurjchem-2480	110	8	values	value	NOUN
eurjchem-2480	110	9	,	,	PUNCT
eurjchem-2480	110	10	e.g.	e.g.	ADV
eurjchem-2480	110	11	,	,	PUNCT
eurjchem-2480	110	12	calculating	calculate	VERB
eurjchem-2480	110	13	a	a	DET
eurjchem-2480	110	14	term	term	NOUN
eurjchem-2480	110	15	r13	r13	NOUN
eurjchem-2480	110	16	-	-	PUNCT
eurjchem-2480	110	17	2	2	NUM
eurjchem-2480	110	18	from	from	ADP
eurjchem-2480	110	19	the	the	DET
eurjchem-2480	110	20	same	same	ADJ
eurjchem-2480	110	21	upcoming	upcoming	ADJ
eurjchem-2480	110	22	coordinates	coordinate	NOUN
eurjchem-2480	110	23	,	,	PUNCT
eurjchem-2480	110	24	e.g.	e.g.	ADV
eurjchem-2480	110	25	,	,	PUNCT
eurjchem-2480	110	26	from	from	ADP
eurjchem-2480	110	27	q11∈{qa	q11∈{qa	PRON
eurjchem-2480	110	28	}	}	PUNCT
eurjchem-2480	110	29	and	and	CCONJ
eurjchem-2480	110	30	q11∈{qc	q11∈{qc	NOUN
eurjchem-2480	110	31	}	}	PUNCT
eurjchem-2480	110	32	.	.	PUNCT
eurjchem-2480	111	1	an	an	DET
eurjchem-2480	111	2	improvement	improvement	NOUN
eurjchem-2480	111	3	in	in	ADP
eurjchem-2480	111	4	accuracy	accuracy	NOUN
eurjchem-2480	111	5	is	be	AUX
eurjchem-2480	111	6	as	as	SCONJ
eurjchem-2480	111	7	follows	follow	VERB
eurjchem-2480	111	8	:	:	PUNCT
eurjchem-2480	111	9	equation	equation	NOUN
eurjchem-2480	111	10	14	14	NUM
eurjchem-2480	111	11	with	with	ADP
eurjchem-2480	111	12	the	the	DET
eurjchem-2480	111	13	specific	specific	ADJ
eurjchem-2480	111	14	f	f	NOUN
eurjchem-2480	111	15	in	in	ADP
eurjchem-2480	111	16	more	more	ADJ
eurjchem-2480	111	17	detail	detail	NOUN
eurjchem-2480	111	18	,	,	PUNCT
eurjchem-2480	111	19	is	be	AUX
eurjchem-2480	111	20	∫ρ(1)ρ(2)ρ(3)w(1,2,3)dr1dr2dr3	∫ρ(1)ρ(2)ρ(3)w(1,2,3)dr1dr2dr3	PROPN
eurjchem-2480	111	21	≈	≈	PROPN
eurjchem-2480	111	22	∑a	∑a	PROPN
eurjchem-2480	111	23	,	,	PUNCT
eurjchem-2480	111	24	b	b	NOUN
eurjchem-2480	111	25	,	,	PUNCT
eurjchem-2480	111	26	c	c	NOUN
eurjchem-2480	111	27	cacbcc	cacbcc	ADV
eurjchem-2480	111	28	ρ(qa)ρ(qb)ρ(qc	ρ(qa)ρ(qb)ρ(qc	ADJ
eurjchem-2480	111	29	)	)	PUNCT
eurjchem-2480	111	30	w(qa	w(qa	PROPN
eurjchem-2480	111	31	,	,	PUNCT
eurjchem-2480	111	32	qb	qb	PROPN
eurjchem-2480	111	33	,	,	PUNCT
eurjchem-2480	111	34	qc	qc	PROPN
eurjchem-2480	111	35	)	)	PUNCT
eurjchem-2480	111	36	(	(	PUNCT
eurjchem-2480	111	37	15	15	NUM
eurjchem-2480	111	38	)	)	PUNCT
eurjchem-2480	111	39	for	for	ADP
eurjchem-2480	111	40	example	example	NOUN
eurjchem-2480	111	41	,	,	PUNCT
eurjchem-2480	111	42	if	if	SCONJ
eurjchem-2480	111	43	w	w	NOUN
eurjchem-2480	111	44	=	=	SYM
eurjchem-2480	111	45	r12	r12	NUM
eurjchem-2480	111	46	-	-	PUNCT
eurjchem-2480	111	47	1	1	NUM
eurjchem-2480	111	48	r13	r13	NOUN
eurjchem-2480	111	49	-	-	PUNCT
eurjchem-2480	111	50	2	2	NUM
eurjchem-2480	111	51	in	in	ADP
eurjchem-2480	111	52	equation	equation	NOUN
eurjchem-2480	111	53	2	2	NUM
eurjchem-2480	111	54	,	,	PUNCT
eurjchem-2480	111	55	then	then	ADV
eurjchem-2480	111	56	w	w	PROPN
eurjchem-2480	111	57	=	=	PUNCT
eurjchem-2480	111	58	|qa	|qa	NUM
eurjchem-2480	111	59	-	-	PUNCT
eurjchem-2480	111	60	qb|1|qa	qb|1|qa	NUM
eurjchem-2480	111	61	-	-	PUNCT
eurjchem-2480	111	62	qc|-2	qc|-2	NOUN
eurjchem-2480	111	63	.	.	PUNCT
eurjchem-2480	112	1	normalizing	normalize	VERB
eurjchem-2480	112	2	to	to	ADP
eurjchem-2480	112	3	the	the	DET
eurjchem-2480	112	4	case	case	NOUN
eurjchem-2480	112	5	w	w	NOUN
eurjchem-2480	112	6	=	=	SYM
eurjchem-2480	112	7	1	1	NUM
eurjchem-2480	112	8	is	be	AUX
eurjchem-2480	112	9	possible	possible	ADJ
eurjchem-2480	112	10	to	to	PART
eurjchem-2480	112	11	improve	improve	VERB
eurjchem-2480	112	12	the	the	DET
eurjchem-2480	112	13	accuracy	accuracy	NOUN
eurjchem-2480	112	14	.	.	PUNCT
eurjchem-2480	113	1	if	if	SCONJ
eurjchem-2480	113	2	w	w	NOUN
eurjchem-2480	113	3	=	=	SYM
eurjchem-2480	113	4	1	1	NUM
eurjchem-2480	113	5	,	,	PUNCT
eurjchem-2480	113	6	equation	equation	NOUN
eurjchem-2480	113	7	15	15	NUM
eurjchem-2480	113	8	reduces	reduce	VERB
eurjchem-2480	113	9	to	to	ADP
eurjchem-2480	113	10	n3=	n3=	PROPN
eurjchem-2480	113	11	(	(	PUNCT
eurjchem-2480	113	12	∫ρ(1)dr1)3=	∫ρ(1)dr1)3=	PROPN
eurjchem-2480	113	13	∫ρ(1)ρ(2(ρ(3)dr1dr2dr3	∫ρ(1)ρ(2(ρ(3)dr1dr2dr3	PROPN
eurjchem-2480	113	14	≈	≈	PROPN
eurjchem-2480	113	15	∑a	∑a	PROPN
eurjchem-2480	113	16	,	,	PUNCT
eurjchem-2480	113	17	b	b	NOUN
eurjchem-2480	113	18	,	,	PUNCT
eurjchem-2480	114	1	c	c	PROPN
eurjchem-2480	114	2	cacbcc	cacbcc	PROPN
eurjchem-2480	115	1	ρ(qa)ρ(qb)ρ(qc)=	ρ(qa)ρ(qb)ρ(qc)=	PROPN
eurjchem-2480	115	2	(	(	PUNCT
eurjchem-2480	115	3	∑a	∑a	INTJ
eurjchem-2480	115	4	ca	can	AUX
eurjchem-2480	115	5	ρ(qa))3	ρ(qa))3	VERB
eurjchem-2480	115	6	if	if	SCONJ
eurjchem-2480	115	7	the	the	DET
eurjchem-2480	115	8	same	same	ADJ
eurjchem-2480	115	9	mesh	mesh	NOUN
eurjchem-2480	115	10	is	be	AUX
eurjchem-2480	115	11	used	use	VERB
eurjchem-2480	115	12	.	.	PUNCT
eurjchem-2480	116	1	dividing	divide	VERB
eurjchem-2480	116	2	these	these	DET
eurjchem-2480	116	3	two	two	NUM
eurjchem-2480	116	4	equations	equation	NOUN
eurjchem-2480	116	5	yields	yield	VERB
eurjchem-2480	116	6	∫ρ(1)ρ(2)ρ(3)w(1,2,3)dr1dr2dr3	∫ρ(1)ρ(2)ρ(3)w(1,2,3)dr1dr2dr3	PROPN
eurjchem-2480	117	1	≈	≈	PROPN
eurjchem-2480	117	2	[	[	X
eurjchem-2480	117	3	∫ρ(1)dr1/∑acaρ(qa)]3∑a	∫ρ(1)dr1/∑acaρ(qa)]3∑a	PROPN
eurjchem-2480	117	4	,	,	PUNCT
eurjchem-2480	117	5	b	b	PROPN
eurjchem-2480	117	6	,	,	PUNCT
eurjchem-2480	117	7	ccacbccρ(qa)ρ(qb)ρ(qc)w(qa	ccacbccρ(qa)ρ(qb)ρ(qc)w(qa	PROPN
eurjchem-2480	117	8	,	,	PUNCT
eurjchem-2480	117	9	qb	qb	PROPN
eurjchem-2480	117	10	,	,	PUNCT
eurjchem-2480	117	11	qc	qc	PROPN
eurjchem-2480	117	12	)	)	PUNCT
eurjchem-2480	117	13	(	(	PUNCT
eurjchem-2480	117	14	16	16	NUM
eurjchem-2480	117	15	)	)	PUNCT
eurjchem-2480	117	16	for	for	ADP
eurjchem-2480	117	17	the	the	DET
eurjchem-2480	117	18	left	left	ADJ
eurjchem-2480	117	19	side	side	NOUN
eurjchem-2480	117	20	,	,	PUNCT
eurjchem-2480	117	21	the	the	DET
eurjchem-2480	117	22	∫ρ(1)dr1	∫ρ(1)dr1	X
eurjchem-2480	117	23	can	can	AUX
eurjchem-2480	117	24	be	be	AUX
eurjchem-2480	117	25	evaluated	evaluate	VERB
eurjchem-2480	117	26	analytically	analytically	ADV
eurjchem-2480	117	27	in	in	ADP
eurjchem-2480	117	28	practice	practice	NOUN
eurjchem-2480	117	29	because	because	SCONJ
eurjchem-2480	117	30	it	it	PRON
eurjchem-2480	117	31	is	be	AUX
eurjchem-2480	117	32	the	the	DET
eurjchem-2480	117	33	lc	lc	NOUN
eurjchem-2480	117	34	of	of	ADP
eurjchem-2480	117	35	gto	gto	PROPN
eurjchem-2480	117	36	in	in	ADP
eurjchem-2480	117	37	equation	equation	NOUN
eurjchem-2480	117	38	1	1	NUM
eurjchem-2480	117	39	.	.	PUNCT
eurjchem-2480	118	1	one	one	PRON
eurjchem-2480	118	2	must	must	AUX
eurjchem-2480	118	3	keep	keep	VERB
eurjchem-2480	118	4	in	in	ADP
eurjchem-2480	118	5	mind	mind	NOUN
eurjchem-2480	118	6	that	that	SCONJ
eurjchem-2480	118	7	equation	equation	NOUN
eurjchem-2480	118	8	16	16	NUM
eurjchem-2480	118	9	supposes	suppose	VERB
eurjchem-2480	118	10	that	that	SCONJ
eurjchem-2480	118	11	the	the	DET
eurjchem-2480	118	12	same	same	ADJ
eurjchem-2480	118	13	mesh	mesh	NOUN
eurjchem-2480	118	14	is	be	AUX
eurjchem-2480	118	15	used	use	VERB
eurjchem-2480	118	16	for	for	ADP
eurjchem-2480	118	17	all	all	DET
eurjchem-2480	118	18	three	three	NUM
eurjchem-2480	118	19	variables	variable	NOUN
eurjchem-2480	118	20	.	.	PUNCT
eurjchem-2480	119	1	if	if	SCONJ
eurjchem-2480	119	2	three	three	NUM
eurjchem-2480	119	3	different	different	ADJ
eurjchem-2480	119	4	meshes	mesh	NOUN
eurjchem-2480	119	5	are	be	AUX
eurjchem-2480	119	6	chosen	choose	VERB
eurjchem-2480	119	7	(	(	PUNCT
eurjchem-2480	119	8	see	see	VERB
eurjchem-2480	119	9	above	above	ADV
eurjchem-2480	119	10	)	)	PUNCT
eurjchem-2480	119	11	and	and	CCONJ
eurjchem-2480	119	12	,	,	PUNCT
eurjchem-2480	119	13	even	even	ADV
eurjchem-2480	119	14	more	more	ADJ
eurjchem-2480	119	15	,	,	PUNCT
eurjchem-2480	119	16	three	three	NUM
eurjchem-2480	119	17	different	different	ADJ
eurjchem-2480	119	18	densities	density	NOUN
eurjchem-2480	119	19	(	(	PUNCT
eurjchem-2480	119	20	distinguished	distinguish	VERB
eurjchem-2480	119	21	by	by	ADP
eurjchem-2480	119	22	indexes	index	NOUN
eurjchem-2480	119	23	α	α	PROPN
eurjchem-2480	119	24	,	,	PUNCT
eurjchem-2480	119	25	β	β	X
eurjchem-2480	119	26	,	,	PUNCT
eurjchem-2480	119	27	γ	γ	X
eurjchem-2480	119	28	as	as	ADP
eurjchem-2480	119	29	in	in	ADP
eurjchem-2480	119	30	the	the	DET
eurjchem-2480	119	31	test	test	NOUN
eurjchem-2480	119	32	below	below	ADP
eurjchem-2480	119	33	)	)	PUNCT
eurjchem-2480	119	34	,	,	PUNCT
eurjchem-2480	119	35	the	the	DET
eurjchem-2480	119	36	factor	factor	NOUN
eurjchem-2480	119	37	is	be	AUX
eurjchem-2480	119	38	[	[	X
eurjchem-2480	119	39	∫ρα(1)dr1∫ρβ(1)dr1∫ργ(1)dr1/(∑acaρα(qa)∑bcbρβ(qb)∑cccργ(qc	∫ρα(1)dr1∫ρβ(1)dr1∫ργ(1)dr1/(∑acaρα(qa)∑bcbρβ(qb)∑cccργ(qc	ADJ
eurjchem-2480	119	40	)	)	PUNCT
eurjchem-2480	119	41	)	)	PUNCT
eurjchem-2480	119	42	]	]	PUNCT
eurjchem-2480	120	1	(	(	PUNCT
eurjchem-2480	120	2	17	17	NUM
eurjchem-2480	120	3	)	)	PUNCT
eurjchem-2480	120	4	in	in	ADP
eurjchem-2480	120	5	equation	equation	NOUN
eurjchem-2480	120	6	17	17	NUM
eurjchem-2480	120	7	,	,	PUNCT
eurjchem-2480	120	8	the	the	DET
eurjchem-2480	120	9	indexes	index	NOUN
eurjchem-2480	120	10	a	a	DET
eurjchem-2480	120	11	,	,	PUNCT
eurjchem-2480	120	12	b	b	NOUN
eurjchem-2480	120	13	,	,	PUNCT
eurjchem-2480	120	14	and	and	CCONJ
eurjchem-2480	120	15	c	c	PROPN
eurjchem-2480	120	16	represent	represent	VERB
eurjchem-2480	120	17	the	the	DET
eurjchem-2480	120	18	three	three	NUM
eurjchem-2480	120	19	(	(	PUNCT
eurjchem-2480	120	20	generally	generally	ADV
eurjchem-2480	120	21	different	different	ADJ
eurjchem-2480	120	22	)	)	PUNCT
eurjchem-2480	120	23	meshes	mesh	NOUN
eurjchem-2480	120	24	for	for	ADP
eurjchem-2480	120	25	variables	variable	NOUN
eurjchem-2480	120	26	r1	r1	PROPN
eurjchem-2480	120	27	,	,	PUNCT
eurjchem-2480	120	28	r2	r2	PROPN
eurjchem-2480	120	29	,	,	PUNCT
eurjchem-2480	120	30	and	and	CCONJ
eurjchem-2480	120	31	r3	r3	PROPN
eurjchem-2480	120	32	,	,	PUNCT
eurjchem-2480	120	33	and	and	CCONJ
eurjchem-2480	120	34	again	again	ADV
eurjchem-2480	120	35	,	,	PUNCT
eurjchem-2480	120	36	the	the	DET
eurjchem-2480	120	37	particular	particular	ADJ
eurjchem-2480	120	38	normalization	normalization	NOUN
eurjchem-2480	120	39	(	(	PUNCT
eurjchem-2480	120	40	e.g.	e.g.	ADV
eurjchem-2480	120	41	,	,	PUNCT
eurjchem-2480	120	42	spin	spin	VERB
eurjchem-2480	120	43	density	density	NOUN
eurjchem-2480	120	44	)	)	PUNCT
eurjchem-2480	120	45	makes	make	VERB
eurjchem-2480	120	46	the	the	DET
eurjchem-2480	120	47	nominator	nominator	NOUN
eurjchem-2480	120	48	simpler	simple	ADJ
eurjchem-2480	120	49	.	.	PUNCT
eurjchem-2480	121	1	the	the	DET
eurjchem-2480	121	2	reduction	reduction	NOUN
eurjchem-2480	121	3	of	of	ADP
eurjchem-2480	121	4	9	9	NUM
eurjchem-2480	121	5	dimensions	dimension	NOUN
eurjchem-2480	121	6	(	(	PUNCT
eurjchem-2480	121	7	equations	equation	NOUN
eurjchem-2480	121	8	16	16	NUM
eurjchem-2480	121	9	and	and	CCONJ
eurjchem-2480	121	10	17	17	NUM
eurjchem-2480	121	11	)	)	PUNCT
eurjchem-2480	121	12	to	to	ADP
eurjchem-2480	121	13	3	3	NUM
eurjchem-2480	121	14	dimensions	dimension	NOUN
eurjchem-2480	121	15	(	(	PUNCT
eurjchem-2480	121	16	i.e.	i.e.	X
eurjchem-2480	121	17	,	,	PUNCT
eurjchem-2480	121	18	to	to	PART
eurjchem-2480	121	19	∫ρ(1)w(1)dr1	∫ρ(1)w(1)dr1	X
eurjchem-2480	121	20	)	)	PUNCT
eurjchem-2480	121	21	and	and	CCONJ
eurjchem-2480	121	22	6	6	NUM
eurjchem-2480	121	23	dimensions	dimension	NOUN
eurjchem-2480	121	24	(	(	PUNCT
eurjchem-2480	121	25	i.e.	i.e.	X
eurjchem-2480	121	26	,	,	PUNCT
eurjchem-2480	121	27	to	to	PART
eurjchem-2480	121	28	∫ρ(1)ρ(2)w(1,2)dr1dr2	∫ρ(1)ρ(2)w(1,2)dr1dr2	NOUN
eurjchem-2480	121	29	)	)	PUNCT
eurjchem-2480	121	30	is	be	AUX
eurjchem-2480	121	31	straightforward	straightforward	ADJ
eurjchem-2480	121	32	.	.	PUNCT
eurjchem-2480	122	1	in	in	ADP
eurjchem-2480	122	2	the	the	DET
eurjchem-2480	122	3	numerical	numerical	ADJ
eurjchem-2480	122	4	integration	integration	NOUN
eurjchem-2480	122	5	tests	test	VERB
eurjchem-2480	122	6	below	below	ADV
eurjchem-2480	122	7	,	,	PUNCT
eurjchem-2480	122	8	we	we	PRON
eurjchem-2480	122	9	use	use	VERB
eurjchem-2480	122	10	the	the	DET
eurjchem-2480	122	11	not	not	PART
eurjchem-2480	122	12	-	-	PUNCT
eurjchem-2480	122	13	normalized	normalize	VERB
eurjchem-2480	122	14	ρ(i	ρ(i	PROPN
eurjchem-2480	122	15	)	)	PUNCT
eurjchem-2480	122	16	=	=	SYM
eurjchem-2480	123	1	gai(a,0,0,0	gai(a,0,0,0	NOUN
eurjchem-2480	123	2	)	)	PUNCT
eurjchem-2480	123	3	mostly	mostly	ADV
eurjchem-2480	123	4	.	.	PUNCT
eurjchem-2480	124	1	if	if	SCONJ
eurjchem-2480	124	2	the	the	DET
eurjchem-2480	124	3	integration	integration	NOUN
eurjchem-2480	124	4	device	device	NOUN
eurjchem-2480	124	5	in	in	ADP
eurjchem-2480	124	6	equation	equation	NOUN
eurjchem-2480	124	7	13	13	NUM
eurjchem-2480	124	8	is	be	AUX
eurjchem-2480	124	9	100	100	NUM
eurjchem-2480	124	10	%	%	NOUN
eurjchem-2480	124	11	accurate	accurate	ADJ
eurjchem-2480	124	12	,	,	PUNCT
eurjchem-2480	124	13	the	the	DET
eurjchem-2480	124	14	factor	factor	NOUN
eurjchem-2480	124	15	is	be	AUX
eurjchem-2480	124	16	the	the	DET
eurjchem-2480	124	17	unit	unit	NOUN
eurjchem-2480	124	18	in	in	ADP
eurjchem-2480	124	19	equation	equation	NOUN
eurjchem-2480	124	20	17	17	NUM
eurjchem-2480	124	21	,	,	PUNCT
eurjchem-2480	124	22	regardless	regardless	ADV
eurjchem-2480	124	23	of	of	ADP
eurjchem-2480	124	24	whether	whether	SCONJ
eurjchem-2480	124	25	the	the	DET
eurjchem-2480	124	26	ρ(1	ρ(1	NOUN
eurjchem-2480	124	27	)	)	PUNCT
eurjchem-2480	124	28	is	be	AUX
eurjchem-2480	124	29	normalized	normalize	VERB
eurjchem-2480	124	30	(	(	PUNCT
eurjchem-2480	124	31	e.g.	e.g.	ADV
eurjchem-2480	124	32	,	,	PUNCT
eurjchem-2480	124	33	to	to	ADP
eurjchem-2480	124	34	n	n	CCONJ
eurjchem-2480	124	35	)	)	PUNCT
eurjchem-2480	124	36	or	or	CCONJ
eurjchem-2480	124	37	not	not	PART
eurjchem-2480	124	38	.	.	PUNCT
eurjchem-2480	125	1	jumping	jump	VERB
eurjchem-2480	125	2	from	from	ADP
eurjchem-2480	125	3	3	3	NUM
eurjchem-2480	125	4	(	(	PUNCT
eurjchem-2480	125	5	equation	equation	NOUN
eurjchem-2480	125	6	13	13	NUM
eurjchem-2480	125	7	)	)	PUNCT
eurjchem-2480	125	8	to	to	ADP
eurjchem-2480	125	9	6	6	NUM
eurjchem-2480	125	10	and	and	CCONJ
eurjchem-2480	125	11	9	9	NUM
eurjchem-2480	125	12	dimensions	dimension	NOUN
eurjchem-2480	125	13	(	(	PUNCT
eurjchem-2480	125	14	equations	equation	NOUN
eurjchem-2480	125	15	14	14	NUM
eurjchem-2480	125	16	-	-	SYM
eurjchem-2480	125	17	17	17	NUM
eurjchem-2480	125	18	)	)	PUNCT
eurjchem-2480	125	19	increases	increase	VERB
eurjchem-2480	125	20	the	the	DET
eurjchem-2480	125	21	computation	computation	NOUN
eurjchem-2480	125	22	time	time	NOUN
eurjchem-2480	125	23	as	as	ADP
eurjchem-2480	125	24	l	l	NOUN
eurjchem-2480	125	25	vs.	vs.	ADP
eurjchem-2480	125	26	l2	l2	NOUN
eurjchem-2480	125	27	and	and	CCONJ
eurjchem-2480	125	28	l	l	NOUN
eurjchem-2480	125	29	vs.	vs.	X
eurjchem-2480	125	30	l3	l3	NOUN
eurjchem-2480	125	31	,	,	PUNCT
eurjchem-2480	125	32	respectively	respectively	ADV
eurjchem-2480	125	33	.	.	PUNCT
eurjchem-2480	126	1	equations	equation	NOUN
eurjchem-2480	126	2	14	14	NUM
eurjchem-2480	126	3	-	-	SYM
eurjchem-2480	126	4	17	17	NUM
eurjchem-2480	126	5	are	be	AUX
eurjchem-2480	126	6	mathematically	mathematically	ADV
eurjchem-2480	126	7	the	the	DET
eurjchem-2480	126	8	descartes	descartes	PROPN
eurjchem-2480	126	9	product	product	NOUN
eurjchem-2480	126	10	of	of	ADP
eurjchem-2480	126	11	the	the	DET
eurjchem-2480	126	12	scheme	scheme	NOUN
eurjchem-2480	126	13	for	for	ADP
eurjchem-2480	126	14	3	3	NUM
eurjchem-2480	126	15	dimensions	dimension	NOUN
eurjchem-2480	126	16	in	in	ADP
eurjchem-2480	126	17	equation	equation	NOUN
eurjchem-2480	126	18	13	13	NUM
eurjchem-2480	126	19	.	.	PUNCT
eurjchem-2480	127	1	we	we	PRON
eurjchem-2480	127	2	provide	provide	VERB
eurjchem-2480	127	3	brief	brief	ADJ
eurjchem-2480	127	4	and	and	CCONJ
eurjchem-2480	127	5	powerful	powerful	ADJ
eurjchem-2480	127	6	tests	test	NOUN
eurjchem-2480	127	7	for	for	ADP
eurjchem-2480	127	8	the	the	DET
eurjchem-2480	127	9	numerical	numerical	ADJ
eurjchem-2480	127	10	integration	integration	NOUN
eurjchem-2480	127	11	scheme	scheme	NOUN
eurjchem-2480	127	12	for	for	ADP
eurjchem-2480	127	13	6	6	NUM
eurjchem-2480	127	14	and	and	CCONJ
eurjchem-2480	127	15	9	9	NUM
eurjchem-2480	127	16	dimensions	dimension	NOUN
eurjchem-2480	127	17	in	in	ADP
eurjchem-2480	127	18	equations	equation	NOUN
eurjchem-2480	127	19	14	14	NUM
eurjchem-2480	127	20	-	-	SYM
eurjchem-2480	127	21	17	17	NUM
eurjchem-2480	127	22	.	.	PUNCT
eurjchem-2480	128	1	sandor	sandor	PROPN
eurjchem-2480	128	2	kristyan	kristyan	PROPN
eurjchem-2480	128	3	/	/	SYM
eurjchem-2480	128	4	european	european	PROPN
eurjchem-2480	128	5	journal	journal	PROPN
eurjchem-2480	128	6	of	of	ADP
eurjchem-2480	128	7	chemistry	chemistry	NOUN
eurjchem-2480	128	8	14	14	NUM
eurjchem-2480	128	9	(	(	PUNCT
eurjchem-2480	128	10	4	4	NUM
eurjchem-2480	128	11	)	)	PUNCT
eurjchem-2480	128	12	(	(	PUNCT
eurjchem-2480	128	13	2023	2023	NUM
eurjchem-2480	128	14	)	)	PUNCT
eurjchem-2480	128	15	486	486	NUM
eurjchem-2480	128	16	-	-	SYM
eurjchem-2480	128	17	493	493	NUM
eurjchem-2480	128	18	489	489	NUM
eurjchem-2480	128	19	2023	2023	NUM
eurjchem-2480	128	20	–	–	PUNCT
eurjchem-2480	128	21	european	european	ADJ
eurjchem-2480	128	22	journal	journal	NOUN
eurjchem-2480	128	23	of	of	ADP
eurjchem-2480	128	24	chemistry	chemistry	NOUN
eurjchem-2480	128	25	–	–	PUNCT
eurjchem-2480	128	26	cc	cc	NOUN
eurjchem-2480	128	27	by	by	ADP
eurjchem-2480	128	28	nc	nc	PROPN
eurjchem-2480	128	29	–	–	PUNCT
eurjchem-2480	128	30	doi	doi	PROPN
eurjchem-2480	128	31	:	:	PUNCT
eurjchem-2480	128	32	10.5155	10.5155	NUM
eurjchem-2480	128	33	/	/	SYM
eurjchem-2480	128	34	eurjchem.14.4.486	eurjchem.14.4.486	NUM
eurjchem-2480	128	35	-	-	PUNCT
eurjchem-2480	128	36	493.2480	493.2480	NUM
eurjchem-2480	128	37	table	table	NOUN
eurjchem-2480	128	38	1	1	NUM
eurjchem-2480	128	39	.	.	PUNCT
eurjchem-2480	128	40	error	error	NOUN
eurjchem-2480	128	41	in	in	ADP
eurjchem-2480	128	42	numerical	numerical	ADJ
eurjchem-2480	128	43	integrations	integration	NOUN
eurjchem-2480	128	44	(	(	PUNCT
eurjchem-2480	128	45	equations	equation	NOUN
eurjchem-2480	128	46	13	13	NUM
eurjchem-2480	128	47	-	-	SYM
eurjchem-2480	128	48	17	17	NUM
eurjchem-2480	128	49	)	)	PUNCT
eurjchem-2480	128	50	in	in	ADP
eurjchem-2480	128	51	comparison	comparison	NOUN
eurjchem-2480	128	52	to	to	ADP
eurjchem-2480	128	53	analytical	analytical	ADJ
eurjchem-2480	128	54	integrations	integration	NOUN
eurjchem-2480	128	55	(	(	PUNCT
eurjchem-2480	128	56	equations	equation	NOUN
eurjchem-2480	128	57	3	3	NUM
eurjchem-2480	128	58	-	-	SYM
eurjchem-2480	128	59	12	12	NUM
eurjchem-2480	128	60	)	)	PUNCT
eurjchem-2480	128	61	demonstrated	demonstrate	VERB
eurjchem-2480	128	62	.	.	PUNCT
eurjchem-2480	129	1	w	w	NOUN
eurjchem-2480	129	2	in	in	ADP
eurjchem-2480	129	3	equation	equation	NOUN
eurjchem-2480	129	4	2	2	NUM
eurjchem-2480	129	5	type	type	NOUN
eurjchem-2480	129	6	in	in	ADP
eurjchem-2480	129	7	equation	equation	NOUN
eurjchem-2480	129	8	1	1	NUM
eurjchem-2480	129	9	lr	lr	INTJ
eurjchem-2480	129	10	(	(	PUNCT
eurjchem-2480	129	11	radial	radial	ADJ
eurjchem-2480	129	12	points	point	NOUN
eurjchem-2480	129	13	)	)	PUNCT
eurjchem-2480	129	14	equations	equation	NOUN
eurjchem-2480	129	15	used	use	VERB
eurjchem-2480	129	16	error	error	NOUN
eurjchem-2480	129	17	in	in	ADP
eurjchem-2480	129	18	numerical	numerical	ADJ
eurjchem-2480	129	19	integration	integration	NOUN
eurjchem-2480	129	20	%	%	NOUN
eurjchem-2480	129	21	1	1	NUM
eurjchem-2480	129	22	gto	gto	NOUN
eurjchem-2480	129	23	and	and	CCONJ
eurjchem-2480	129	24	sto	sto	PROPN
eurjchem-2480	129	25	low	low	ADJ
eurjchem-2480	129	26	lr	lr	PROPN
eurjchem-2480	129	27	vs.	vs.	ADP
eurjchem-2480	129	28	high	high	ADJ
eurjchem-2480	129	29	lr	lr	PROPN
eurjchem-2480	129	30	equations	equation	NOUN
eurjchem-2480	129	31	15	15	NUM
eurjchem-2480	129	32	-	-	SYM
eurjchem-2480	129	33	17	17	NUM
eurjchem-2480	129	34	10	10	NUM
eurjchem-2480	129	35	-	-	SYM
eurjchem-2480	129	36	4	4	NUM
eurjchem-2480	129	37	vs.	vs.	ADP
eurjchem-2480	129	38	10	10	NUM
eurjchem-2480	129	39	-	-	SYM
eurjchem-2480	129	40	9	9	NUM
eurjchem-2480	129	41	rq1	rq1	NOUN
eurjchem-2480	129	42	-	-	PUNCT
eurjchem-2480	129	43	1	1	NUM
eurjchem-2480	129	44	gto	gto	NOUN
eurjchem-2480	129	45	high	high	ADJ
eurjchem-2480	129	46	lr	lr	NOUN
eurjchem-2480	129	47	,	,	PUNCT
eurjchem-2480	129	48	equation	equation	NOUN
eurjchem-2480	129	49	15	15	NUM
eurjchem-2480	129	50	vs.	vs.	ADP
eurjchem-2480	129	51	equations	equation	NOUN
eurjchem-2480	129	52	16	16	NUM
eurjchem-2480	129	53	-	-	SYM
eurjchem-2480	129	54	17	17	NUM
eurjchem-2480	129	55	10	10	NUM
eurjchem-2480	129	56	-	-	SYM
eurjchem-2480	129	57	2	2	NUM
eurjchem-2480	129	58	10	10	NUM
eurjchem-2480	129	59	-	-	SYM
eurjchem-2480	129	60	8	8	NUM
eurjchem-2480	129	61	vs.	vs.	ADP
eurjchem-2480	129	62	10	10	NUM
eurjchem-2480	129	63	-	-	SYM
eurjchem-2480	129	64	2	2	NUM
eurjchem-2480	129	65	10	10	NUM
eurjchem-2480	129	66	-	-	SYM
eurjchem-2480	129	67	10	10	NUM
eurjchem-2480	129	68	rq1	rq1	NOUN
eurjchem-2480	129	69	-	-	PUNCT
eurjchem-2480	129	70	2	2	NUM
eurjchem-2480	129	71	gto	gto	NOUN
eurjchem-2480	129	72	low	low	ADJ
eurjchem-2480	129	73	and	and	CCONJ
eurjchem-2480	129	74	high	high	ADJ
eurjchem-2480	129	75	lr	lr	NOUN
eurjchem-2480	129	76	equation	equation	NOUN
eurjchem-2480	129	77	15	15	NUM
eurjchem-2480	129	78	and	and	CCONJ
eurjchem-2480	129	79	equations	equation	NOUN
eurjchem-2480	129	80	16	16	NUM
eurjchem-2480	129	81	-	-	SYM
eurjchem-2480	129	82	17	17	NUM
eurjchem-2480	129	83	0.5	0.5	NUM
eurjchem-2480	129	84	0.0001	0.0001	NUM
eurjchem-2480	129	85	r12	r12	NUM
eurjchem-2480	129	86	-	-	PUNCT
eurjchem-2480	129	87	1	1	NUM
eurjchem-2480	129	88	gto	gto	NOUN
eurjchem-2480	129	89	low	low	ADJ
eurjchem-2480	129	90	and	and	CCONJ
eurjchem-2480	129	91	high	high	ADJ
eurjchem-2480	129	92	lr	lr	NOUN
eurjchem-2480	129	93	equation	equation	NOUN
eurjchem-2480	129	94	15	15	NUM
eurjchem-2480	129	95	and	and	CCONJ
eurjchem-2480	129	96	equations	equation	NOUN
eurjchem-2480	129	97	16	16	NUM
eurjchem-2480	129	98	-	-	SYM
eurjchem-2480	129	99	17	17	NUM
eurjchem-2480	129	100	4	4	NUM
eurjchem-2480	129	101	10	10	NUM
eurjchem-2480	129	102	-	-	SYM
eurjchem-2480	129	103	9	9	NUM
eurjchem-2480	129	104	r12	r12	NOUN
eurjchem-2480	129	105	-	-	PUNCT
eurjchem-2480	129	106	2	2	NUM
eurjchem-2480	129	107	gto	gto	NOUN
eurjchem-2480	129	108	low	low	ADJ
eurjchem-2480	129	109	and	and	CCONJ
eurjchem-2480	129	110	high	high	ADJ
eurjchem-2480	129	111	lr	lr	NOUN
eurjchem-2480	129	112	equation	equation	NOUN
eurjchem-2480	129	113	15	15	NUM
eurjchem-2480	129	114	and	and	CCONJ
eurjchem-2480	129	115	equations	equation	NOUN
eurjchem-2480	129	116	16	16	NUM
eurjchem-2480	129	117	-	-	SYM
eurjchem-2480	129	118	17	17	NUM
eurjchem-2480	129	119	5	5	NUM
eurjchem-2480	129	120	10	10	NUM
eurjchem-2480	129	121	-	-	SYM
eurjchem-2480	129	122	6	6	NUM
eurjchem-2480	129	123	rs1	rs1	NOUN
eurjchem-2480	129	124	-	-	PUNCT
eurjchem-2480	129	125	1r12	1r12	NUM
eurjchem-2480	129	126	-	-	PUNCT
eurjchem-2480	129	127	1	1	NUM
eurjchem-2480	129	128	gto	gto	NOUN
eurjchem-2480	129	129	low	low	ADJ
eurjchem-2480	129	130	and	and	CCONJ
eurjchem-2480	129	131	high	high	ADJ
eurjchem-2480	129	132	lr	lr	NOUN
eurjchem-2480	129	133	equation	equation	NOUN
eurjchem-2480	129	134	15	15	NUM
eurjchem-2480	129	135	and	and	CCONJ
eurjchem-2480	129	136	equations	equation	NOUN
eurjchem-2480	129	137	16	16	NUM
eurjchem-2480	129	138	-	-	SYM
eurjchem-2480	129	139	17	17	NUM
eurjchem-2480	129	140	5	5	NUM
eurjchem-2480	129	141	0.001	0.001	NUM
eurjchem-2480	129	142	r12	r12	NUM
eurjchem-2480	129	143	-	-	PUNCT
eurjchem-2480	129	144	1r13	1r13	NUM
eurjchem-2480	129	145	-	-	SYM
eurjchem-2480	129	146	1	1	NUM
eurjchem-2480	129	147	gto	gto	NOUN
eurjchem-2480	129	148	low	low	ADJ
eurjchem-2480	129	149	lr	lr	NOUN
eurjchem-2480	129	150	equation	equation	NOUN
eurjchem-2480	129	151	15	15	NUM
eurjchem-2480	129	152	and	and	CCONJ
eurjchem-2480	129	153	equations	equation	NOUN
eurjchem-2480	129	154	16	16	NUM
eurjchem-2480	129	155	-	-	SYM
eurjchem-2480	129	156	17	17	NUM
eurjchem-2480	129	157	1	1	NUM
eurjchem-2480	129	158	10	10	NUM
eurjchem-2480	129	159	-	-	SYM
eurjchem-2480	129	160	5	5	NUM
eurjchem-2480	129	161	the	the	DET
eurjchem-2480	129	162	numerical	numerical	ADJ
eurjchem-2480	129	163	integration	integration	NOUN
eurjchem-2480	129	164	scheme	scheme	NOUN
eurjchem-2480	129	165	for	for	ADP
eurjchem-2480	129	166	3	3	NUM
eurjchem-2480	129	167	dimensions	dimension	NOUN
eurjchem-2480	129	168	in	in	ADP
eurjchem-2480	129	169	equation	equation	NOUN
eurjchem-2480	129	170	13	13	NUM
eurjchem-2480	129	171	is	be	AUX
eurjchem-2480	129	172	widely	widely	ADV
eurjchem-2480	129	173	used	use	VERB
eurjchem-2480	129	174	and	and	CCONJ
eurjchem-2480	129	175	tested	test	VERB
eurjchem-2480	129	176	for	for	ADP
eurjchem-2480	129	177	integrations	integration	NOUN
eurjchem-2480	129	178	in	in	ADP
eurjchem-2480	129	179	dft	dft	PROPN
eurjchem-2480	129	180	and	and	CCONJ
eurjchem-2480	129	181	cc	cc	PROPN
eurjchem-2480	129	182	;	;	PUNCT
eurjchem-2480	129	183	see	see	VERB
eurjchem-2480	129	184	the	the	DET
eurjchem-2480	129	185	textbook	textbook	NOUN
eurjchem-2480	129	186	properties	property	NOUN
eurjchem-2480	129	187	in	in	ADP
eurjchem-2480	129	188	appendix	appendix	NOUN
eurjchem-2480	129	189	2	2	NUM
eurjchem-2480	129	190	in	in	ADP
eurjchem-2480	129	191	this	this	DET
eurjchem-2480	129	192	respect	respect	NOUN
eurjchem-2480	129	193	.	.	PUNCT
eurjchem-2480	130	1	when	when	SCONJ
eurjchem-2480	130	2	f(ρ(1	f(ρ(1	X
eurjchem-2480	130	3	)	)	PUNCT
eurjchem-2480	130	4	)	)	PUNCT
eurjchem-2480	130	5	is	be	AUX
eurjchem-2480	130	6	the	the	DET
eurjchem-2480	130	7	lc	lc	NOUN
eurjchem-2480	130	8	of	of	ADP
eurjchem-2480	130	9	the	the	DET
eurjchem-2480	130	10	primitive	primitive	ADJ
eurjchem-2480	130	11	gto	gto	NOUN
eurjchem-2480	130	12	in	in	ADP
eurjchem-2480	130	13	equation	equation	NOUN
eurjchem-2480	130	14	13	13	NUM
eurjchem-2480	130	15	and	and	CCONJ
eurjchem-2480	130	16	an	an	DET
eurjchem-2480	130	17	analytical	analytical	ADJ
eurjchem-2480	130	18	integral	integral	NOUN
eurjchem-2480	130	19	is	be	AUX
eurjchem-2480	130	20	available	available	ADJ
eurjchem-2480	130	21	,	,	PUNCT
eurjchem-2480	130	22	the	the	DET
eurjchem-2480	130	23	numerical	numerical	ADJ
eurjchem-2480	130	24	integration	integration	NOUN
eurjchem-2480	130	25	follows	follow	VERB
eurjchem-2480	130	26	it	it	PRON
eurjchem-2480	130	27	to	to	ADP
eurjchem-2480	130	28	many	many	ADJ
eurjchem-2480	130	29	decimal	decimal	ADJ
eurjchem-2480	130	30	digits	digit	NOUN
eurjchem-2480	130	31	.	.	PUNCT
eurjchem-2480	131	1	however	however	ADV
eurjchem-2480	131	2	,	,	PUNCT
eurjchem-2480	131	3	when	when	SCONJ
eurjchem-2480	131	4	f(ρ(1	f(ρ(1	X
eurjchem-2480	131	5	)	)	PUNCT
eurjchem-2480	131	6	)	)	PUNCT
eurjchem-2480	131	7	is	be	AUX
eurjchem-2480	131	8	a	a	DET
eurjchem-2480	131	9	non	non	ADJ
eurjchem-2480	131	10	-	-	ADJ
eurjchem-2480	131	11	linear	linear	ADJ
eurjchem-2480	131	12	function	function	NOUN
eurjchem-2480	131	13	of	of	ADP
eurjchem-2480	131	14	ρ	ρ	PROPN
eurjchem-2480	131	15	and	and	CCONJ
eurjchem-2480	131	16	the	the	DET
eurjchem-2480	131	17	analytical	analytical	ADJ
eurjchem-2480	131	18	integration	integration	NOUN
eurjchem-2480	131	19	is	be	AUX
eurjchem-2480	131	20	not	not	PART
eurjchem-2480	131	21	available	available	ADJ
eurjchem-2480	131	22	(	(	PUNCT
eurjchem-2480	131	23	and	and	CCONJ
eurjchem-2480	131	24	the	the	DET
eurjchem-2480	131	25	analytical	analytical	ADJ
eurjchem-2480	131	26	integration	integration	NOUN
eurjchem-2480	131	27	of	of	ADP
eurjchem-2480	131	28	gto	gto	PROPN
eurjchem-2480	131	29	loses	lose	VERB
eurjchem-2480	131	30	its	its	PRON
eurjchem-2480	131	31	relevance	relevance	NOUN
eurjchem-2480	131	32	in	in	ADP
eurjchem-2480	131	33	this	this	DET
eurjchem-2480	131	34	situation	situation	NOUN
eurjchem-2480	131	35	)	)	PUNCT
eurjchem-2480	131	36	,	,	PUNCT
eurjchem-2480	131	37	equation	equation	NOUN
eurjchem-2480	131	38	13	13	NUM
eurjchem-2480	131	39	still	still	ADV
eurjchem-2480	131	40	works	work	VERB
eurjchem-2480	131	41	,	,	PUNCT
eurjchem-2480	131	42	as	as	SCONJ
eurjchem-2480	131	43	experienced	experience	VERB
eurjchem-2480	131	44	by	by	ADP
eurjchem-2480	131	45	reasonable	reasonable	ADJ
eurjchem-2480	131	46	results	result	NOUN
eurjchem-2480	131	47	in	in	ADP
eurjchem-2480	131	48	cqc	cqc	PROPN
eurjchem-2480	131	49	for	for	ADP
eurjchem-2480	131	50	cc	cc	PROPN
eurjchem-2480	131	51	.	.	PUNCT
eurjchem-2480	132	1	our	our	PRON
eurjchem-2480	132	2	hypothesis	hypothesis	NOUN
eurjchem-2480	132	3	is	be	AUX
eurjchem-2480	132	4	the	the	DET
eurjchem-2480	132	5	same	same	ADJ
eurjchem-2480	132	6	for	for	ADP
eurjchem-2480	132	7	equations	equation	NOUN
eurjchem-2480	132	8	14	14	NUM
eurjchem-2480	132	9	-	-	SYM
eurjchem-2480	132	10	17	17	NUM
eurjchem-2480	132	11	with	with	ADP
eurjchem-2480	132	12	a	a	DET
eurjchem-2480	132	13	more	more	ADV
eurjchem-2480	132	14	general	general	ADJ
eurjchem-2480	132	15	f	f	NOUN
eurjchem-2480	132	16	,	,	PUNCT
eurjchem-2480	132	17	even	even	ADV
eurjchem-2480	132	18	though	though	SCONJ
eurjchem-2480	132	19	we	we	PRON
eurjchem-2480	132	20	have	have	AUX
eurjchem-2480	132	21	tested	test	VERB
eurjchem-2480	132	22	it	it	PRON
eurjchem-2480	132	23	for	for	ADP
eurjchem-2480	132	24	particular	particular	ADJ
eurjchem-2480	132	25	cases	case	NOUN
eurjchem-2480	132	26	of	of	ADP
eurjchem-2480	132	27	f	f	PRON
eurjchem-2480	132	28	only	only	ADV
eurjchem-2480	132	29	in	in	ADP
eurjchem-2480	132	30	equations	equation	NOUN
eurjchem-2480	132	31	14	14	NUM
eurjchem-2480	132	32	-	-	SYM
eurjchem-2480	132	33	17	17	NUM
eurjchem-2480	132	34	.	.	PUNCT
eurjchem-2480	133	1	another	another	DET
eurjchem-2480	133	2	benefit	benefit	NOUN
eurjchem-2480	133	3	of	of	ADP
eurjchem-2480	133	4	numerical	numerical	ADJ
eurjchem-2480	133	5	integration	integration	NOUN
eurjchem-2480	133	6	in	in	ADP
eurjchem-2480	133	7	equations	equation	NOUN
eurjchem-2480	133	8	15	15	NUM
eurjchem-2480	133	9	-	-	SYM
eurjchem-2480	133	10	17	17	NUM
eurjchem-2480	133	11	is	be	AUX
eurjchem-2480	133	12	that	that	SCONJ
eurjchem-2480	133	13	it	it	PRON
eurjchem-2480	133	14	works	work	VERB
eurjchem-2480	133	15	not	not	PART
eurjchem-2480	133	16	only	only	ADV
eurjchem-2480	133	17	for	for	ADP
eurjchem-2480	133	18	gto	gto	PROPN
eurjchem-2480	133	19	but	but	CCONJ
eurjchem-2480	133	20	also	also	ADV
eurjchem-2480	133	21	for	for	ADP
eurjchem-2480	133	22	sto	sto	NOUN
eurjchem-2480	133	23	(	(	PUNCT
eurjchem-2480	133	24	of	of	ADP
eurjchem-2480	133	25	which	which	PRON
eurjchem-2480	133	26	analytical	analytical	ADJ
eurjchem-2480	133	27	evaluation	evaluation	NOUN
eurjchem-2480	133	28	is	be	AUX
eurjchem-2480	133	29	far	far	ADV
eurjchem-2480	133	30	more	more	ADV
eurjchem-2480	133	31	difficult	difficult	ADJ
eurjchem-2480	133	32	if	if	SCONJ
eurjchem-2480	133	33	it	it	PRON
eurjchem-2480	133	34	exists	exist	VERB
eurjchem-2480	133	35	)	)	PUNCT
eurjchem-2480	133	36	.	.	PUNCT
eurjchem-2480	134	1	furthermore	furthermore	ADV
eurjchem-2480	134	2	,	,	PUNCT
eurjchem-2480	134	3	it	it	PRON
eurjchem-2480	134	4	works	work	VERB
eurjchem-2480	134	5	for	for	ADP
eurjchem-2480	134	6	any	any	DET
eurjchem-2480	134	7	positive	positive	ADJ
eurjchem-2480	134	8	or	or	CCONJ
eurjchem-2480	134	9	negative	negative	ADJ
eurjchem-2480	134	10	real	real	ADJ
eurjchem-2480	134	11	value	value	NOUN
eurjchem-2480	134	12	of	of	ADP
eurjchem-2480	134	13	n	n	PROPN
eurjchem-2480	134	14	and	and	CCONJ
eurjchem-2480	134	15	m	m	VERB
eurjchem-2480	134	16	in	in	ADP
eurjchem-2480	134	17	equation	equation	NOUN
eurjchem-2480	134	18	2	2	NUM
eurjchem-2480	134	19	with	with	ADP
eurjchem-2480	134	20	the	the	DET
eurjchem-2480	134	21	same	same	ADJ
eurjchem-2480	134	22	computational	computational	ADJ
eurjchem-2480	134	23	costs	cost	NOUN
eurjchem-2480	134	24	.	.	PUNCT
eurjchem-2480	135	1	for	for	ADP
eurjchem-2480	135	2	much	much	ADV
eurjchem-2480	135	3	larger	large	ADJ
eurjchem-2480	135	4	than	than	ADP
eurjchem-2480	135	5	|n|	|n|	NOUN
eurjchem-2480	135	6	,	,	PUNCT
eurjchem-2480	135	7	|m|	|m|	VERB
eurjchem-2480	135	8	∈	∈	PROPN
eurjchem-2480	136	1	[	[	X
eurjchem-2480	136	2	0	0	NUM
eurjchem-2480	136	3	,	,	PUNCT
eurjchem-2480	136	4	4	4	NUM
eurjchem-2480	136	5	]	]	ADJ
eurjchem-2480	136	6	values	value	NOUN
eurjchem-2480	136	7	,	,	PUNCT
eurjchem-2480	136	8	the	the	DET
eurjchem-2480	136	9	radial	radial	ADJ
eurjchem-2480	136	10	and	and	CCONJ
eurjchem-2480	136	11	spherical	spherical	ADJ
eurjchem-2480	136	12	schemes	scheme	NOUN
eurjchem-2480	136	13	reported	report	VERB
eurjchem-2480	136	14	in	in	ADP
eurjchem-2480	136	15	references	reference	NOUN
eurjchem-2480	136	16	[	[	X
eurjchem-2480	136	17	9	9	NUM
eurjchem-2480	136	18	-	-	SYM
eurjchem-2480	136	19	11	11	NUM
eurjchem-2480	136	20	]	]	PUNCT
eurjchem-2480	136	21	are	be	AUX
eurjchem-2480	136	22	not	not	PART
eurjchem-2480	136	23	high	high	ADJ
eurjchem-2480	136	24	-	-	PUNCT
eurjchem-2480	136	25	level	level	NOUN
eurjchem-2480	136	26	enough	enough	ADV
eurjchem-2480	136	27	,	,	PUNCT
eurjchem-2480	136	28	but	but	CCONJ
eurjchem-2480	136	29	their	their	PRON
eurjchem-2480	136	30	extension	extension	NOUN
eurjchem-2480	136	31	is	be	AUX
eurjchem-2480	136	32	straightforward	straightforward	ADJ
eurjchem-2480	136	33	.	.	PUNCT
eurjchem-2480	137	1	furthermore	furthermore	ADV
eurjchem-2480	137	2	,	,	PUNCT
eurjchem-2480	137	3	with	with	ADP
eurjchem-2480	137	4	equations	equation	NOUN
eurjchem-2480	137	5	15	15	NUM
eurjchem-2480	137	6	-	-	SYM
eurjchem-2480	137	7	17	17	NUM
eurjchem-2480	137	8	,	,	PUNCT
eurjchem-2480	137	9	all	all	DET
eurjchem-2480	137	10	hf	hf	NOUN
eurjchem-2480	137	11	-	-	PUNCT
eurjchem-2480	137	12	scf	scf	NOUN
eurjchem-2480	137	13	or	or	CCONJ
eurjchem-2480	137	14	dft	dft	PROPN
eurjchem-2480	137	15	integrals	integral	NOUN
eurjchem-2480	137	16	can	can	AUX
eurjchem-2480	137	17	be	be	AUX
eurjchem-2480	137	18	evaluated	evaluate	VERB
eurjchem-2480	137	19	numerically	numerically	ADV
eurjchem-2480	137	20	for	for	ADP
eurjchem-2480	137	21	both	both	CCONJ
eurjchem-2480	137	22	sto	sto	NOUN
eurjchem-2480	137	23	and	and	CCONJ
eurjchem-2480	137	24	gto	gto	NOUN
eurjchem-2480	137	25	,	,	PUNCT
eurjchem-2480	137	26	while	while	SCONJ
eurjchem-2480	137	27	today	today	NOUN
eurjchem-2480	137	28	only	only	ADV
eurjchem-2480	137	29	gto	gto	PROPN
eurjchem-2480	137	30	is	be	AUX
eurjchem-2480	137	31	used	use	VERB
eurjchem-2480	137	32	for	for	ADP
eurjchem-2480	137	33	analytical	analytical	ADJ
eurjchem-2480	137	34	integration	integration	NOUN
eurjchem-2480	137	35	during	during	ADP
eurjchem-2480	137	36	hf	hf	PROPN
eurjchem-2480	137	37	-	-	PUNCT
eurjchem-2480	137	38	scf	scf	NOUN
eurjchem-2480	137	39	(	(	PUNCT
eurjchem-2480	137	40	for	for	ADP
eurjchem-2480	137	41	all	all	PRON
eurjchem-2480	137	42	)	)	PUNCT
eurjchem-2480	137	43	or	or	CCONJ
eurjchem-2480	137	44	dft	dft	PROPN
eurjchem-2480	137	45	(	(	PUNCT
eurjchem-2480	137	46	all	all	PRON
eurjchem-2480	137	47	,	,	PUNCT
eurjchem-2480	137	48	except	except	SCONJ
eurjchem-2480	137	49	the	the	DET
eurjchem-2480	137	50	cc	cc	PROPN
eurjchem-2480	137	51	part	part	NOUN
eurjchem-2480	137	52	)	)	PUNCT
eurjchem-2480	137	53	.	.	PUNCT
eurjchem-2480	138	1	the	the	DET
eurjchem-2480	138	2	advantage	advantage	NOUN
eurjchem-2480	138	3	of	of	ADP
eurjchem-2480	138	4	sto	sto	NOUN
eurjchem-2480	138	5	(	(	PUNCT
eurjchem-2480	138	6	which	which	PRON
eurjchem-2480	138	7	has	have	VERB
eurjchem-2480	138	8	the	the	DET
eurjchem-2480	138	9	form	form	NOUN
eurjchem-2480	138	10	of	of	ADP
eurjchem-2480	138	11	exact	exact	ADJ
eurjchem-2480	138	12	atomic	atomic	ADJ
eurjchem-2480	138	13	wave	wave	NOUN
eurjchem-2480	138	14	functions	function	NOUN
eurjchem-2480	138	15	)	)	PUNCT
eurjchem-2480	138	16	to	to	ADP
eurjchem-2480	138	17	gto	gto	PROPN
eurjchem-2480	138	18	is	be	AUX
eurjchem-2480	138	19	that	that	ADV
eurjchem-2480	138	20	much	much	ADV
eurjchem-2480	138	21	fewer	few	ADJ
eurjchem-2480	138	22	basis	basis	NOUN
eurjchem-2480	138	23	functions	function	NOUN
eurjchem-2480	138	24	are	be	AUX
eurjchem-2480	138	25	necessary	necessary	ADJ
eurjchem-2480	138	26	because	because	SCONJ
eurjchem-2480	138	27	gto	gto	PROPN
eurjchem-2480	138	28	is	be	AUX
eurjchem-2480	138	29	based	base	VERB
eurjchem-2480	138	30	on	on	ADP
eurjchem-2480	138	31	the	the	DET
eurjchem-2480	138	32	approximation	approximation	NOUN
eurjchem-2480	138	33	exp(-p|r1	exp(-p|r1	PROPN
eurjchem-2480	138	34	-	-	PUNCT
eurjchem-2480	138	35	rp|	rp|	NOUN
eurjchem-2480	138	36	)	)	PUNCT
eurjchem-2480	139	1	≈	≈	PROPN
eurjchem-2480	139	2	∑icigpi(ai,0,0,0	∑icigpi(ai,0,0,0	NOUN
eurjchem-2480	139	3	)	)	PUNCT
eurjchem-2480	140	1	;	;	PUNCT
eurjchem-2480	140	2	see	see	VERB
eurjchem-2480	140	3	the	the	DET
eurjchem-2480	140	4	idea	idea	NOUN
eurjchem-2480	140	5	of	of	ADP
eurjchem-2480	140	6	sto-3	sto-3	NOUN
eurjchem-2480	140	7	g	g	NOUN
eurjchem-2480	140	8	,	,	PUNCT
eurjchem-2480	140	9	etc	etc	X
eurjchem-2480	140	10	.	.	X
eurjchem-2480	140	11	basis	basis	NOUN
eurjchem-2480	140	12	sets	set	NOUN
eurjchem-2480	140	13	[	[	X
eurjchem-2480	140	14	18	18	NUM
eurjchem-2480	140	15	]	]	PUNCT
eurjchem-2480	140	16	in	in	ADP
eurjchem-2480	140	17	hfscf	hfscf	PROPN
eurjchem-2480	140	18	or	or	CCONJ
eurjchem-2480	140	19	dft	dft	PROPN
eurjchem-2480	140	20	routines	routine	NOUN
eurjchem-2480	140	21	,	,	PUNCT
eurjchem-2480	140	22	for	for	ADP
eurjchem-2480	140	23	example	example	NOUN
eurjchem-2480	140	24	.	.	PUNCT
eurjchem-2480	141	1	for	for	ADP
eurjchem-2480	141	2	this	this	DET
eurjchem-2480	141	3	reason	reason	NOUN
eurjchem-2480	141	4	,	,	PUNCT
eurjchem-2480	141	5	using	use	VERB
eurjchem-2480	141	6	a	a	DET
eurjchem-2480	141	7	higher	high	ADJ
eurjchem-2480	141	8	-	-	PUNCT
eurjchem-2480	141	9	level	level	NOUN
eurjchem-2480	141	10	gto	gto	NOUN
eurjchem-2480	141	11	basis	basis	NOUN
eurjchem-2480	141	12	,	,	PUNCT
eurjchem-2480	141	13	the	the	DET
eurjchem-2480	141	14	number	number	NOUN
eurjchem-2480	141	15	of	of	ADP
eurjchem-2480	141	16	analytical	analytical	ADJ
eurjchem-2480	141	17	operations	operation	NOUN
eurjchem-2480	141	18	is	be	AUX
eurjchem-2480	141	19	sometimes	sometimes	ADV
eurjchem-2480	141	20	about	about	ADP
eurjchem-2480	141	21	the	the	DET
eurjchem-2480	141	22	same	same	ADJ
eurjchem-2480	141	23	or	or	CCONJ
eurjchem-2480	141	24	larger	large	ADJ
eurjchem-2480	141	25	than	than	ADP
eurjchem-2480	141	26	the	the	DET
eurjchem-2480	141	27	numerical	numerical	ADJ
eurjchem-2480	141	28	operations	operation	NOUN
eurjchem-2480	141	29	via	via	ADP
eurjchem-2480	141	30	the	the	DET
eurjchem-2480	141	31	mesh	mesh	NOUN
eurjchem-2480	141	32	points	point	NOUN
eurjchem-2480	141	33	in	in	ADP
eurjchem-2480	141	34	equations	equation	NOUN
eurjchem-2480	141	35	13	13	NUM
eurjchem-2480	141	36	-	-	SYM
eurjchem-2480	141	37	17	17	NUM
eurjchem-2480	141	38	.	.	PUNCT
eurjchem-2480	142	1	in	in	ADP
eurjchem-2480	142	2	the	the	DET
eurjchem-2480	142	3	test	test	NOUN
eurjchem-2480	142	4	below	below	ADV
eurjchem-2480	142	5	,	,	PUNCT
eurjchem-2480	142	6	we	we	PRON
eurjchem-2480	142	7	keep	keep	VERB
eurjchem-2480	142	8	in	in	ADP
eurjchem-2480	142	9	mind	mind	NOUN
eurjchem-2480	142	10	the	the	DET
eurjchem-2480	142	11	values	value	NOUN
eurjchem-2480	142	12	that	that	PRON
eurjchem-2480	142	13	are	be	AUX
eurjchem-2480	142	14	important	important	ADJ
eurjchem-2480	142	15	in	in	ADP
eurjchem-2480	142	16	practice	practice	NOUN
eurjchem-2480	142	17	:	:	PUNCT
eurjchem-2480	142	18	we	we	PRON
eurjchem-2480	142	19	have	have	AUX
eurjchem-2480	142	20	chosen	choose	VERB
eurjchem-2480	142	21	the	the	DET
eurjchem-2480	142	22	magnitude	magnitude	NOUN
eurjchem-2480	142	23	of	of	ADP
eurjchem-2480	142	24	the	the	DET
eurjchem-2480	142	25	gto	gto	PROPN
eurjchem-2480	142	26	exponents	exponent	NOUN
eurjchem-2480	142	27	from	from	ADP
eurjchem-2480	142	28	the	the	DET
eurjchem-2480	142	29	sto-3	sto-3	NOUN
eurjchem-2480	142	30	g	g	NOUN
eurjchem-2480	142	31	basis	basis	NOUN
eurjchem-2480	142	32	set	set	NOUN
eurjchem-2480	142	33	[	[	X
eurjchem-2480	142	34	17	17	NUM
eurjchem-2480	142	35	]	]	PUNCT
eurjchem-2480	142	36	,	,	PUNCT
eurjchem-2480	142	37	that	that	ADV
eurjchem-2480	142	38	is	is	ADV
eurjchem-2480	142	39	,	,	PUNCT
eurjchem-2480	142	40	for	for	ADP
eurjchem-2480	142	41	analytical	analytical	ADJ
eurjchem-2480	142	42	equations	equation	NOUN
eurjchem-2480	142	43	3	3	NUM
eurjchem-2480	142	44	-	-	SYM
eurjchem-2480	142	45	12	12	NUM
eurjchem-2480	142	46	we	we	PRON
eurjchem-2480	142	47	used	use	VERB
eurjchem-2480	142	48	the	the	DET
eurjchem-2480	142	49	values	value	NOUN
eurjchem-2480	142	50	rq	rq	X
eurjchem-2480	142	51	=	=	PUNCT
eurjchem-2480	142	52	(	(	PUNCT
eurjchem-2480	142	53	d	d	PROPN
eurjchem-2480	142	54	,	,	PUNCT
eurjchem-2480	142	55	0	0	NUM
eurjchem-2480	142	56	,	,	PUNCT
eurjchem-2480	142	57	0	0	NUM
eurjchem-2480	142	58	)	)	PUNCT
eurjchem-2480	142	59	and	and	CCONJ
eurjchem-2480	142	60	rs	rs	NOUN
eurjchem-2480	142	61	=	=	SYM
eurjchem-2480	142	62	(	(	PUNCT
eurjchem-2480	142	63	0	0	NUM
eurjchem-2480	142	64	,	,	PUNCT
eurjchem-2480	142	65	d	d	NOUN
eurjchem-2480	142	66	,	,	PUNCT
eurjchem-2480	142	67	0	0	NUM
eurjchem-2480	142	68	)	)	PUNCT
eurjchem-2480	142	69	with	with	ADP
eurjchem-2480	142	70	d	d	PROPN
eurjchem-2480	142	71	=	=	SYM
eurjchem-2480	142	72	0	0	NUM
eurjchem-2480	142	73	,	,	PUNCT
eurjchem-2480	142	74	2	2	NUM
eurjchem-2480	142	75	,	,	PUNCT
eurjchem-2480	142	76	8	8	NUM
eurjchem-2480	142	77	,	,	PUNCT
eurjchem-2480	142	78	20	20	NUM
eurjchem-2480	142	79	,	,	PUNCT
eurjchem-2480	142	80	and	and	CCONJ
eurjchem-2480	142	81	p	p	X
eurjchem-2480	142	82	,	,	PUNCT
eurjchem-2480	142	83	q	q	X
eurjchem-2480	142	84	,	,	PUNCT
eurjchem-2480	142	85	s	s	PART
eurjchem-2480	142	86	=	=	NOUN
eurjchem-2480	142	87	0.3	0.3	NUM
eurjchem-2480	142	88	,	,	PUNCT
eurjchem-2480	142	89	1	1	NUM
eurjchem-2480	142	90	,	,	PUNCT
eurjchem-2480	142	91	3	3	NUM
eurjchem-2480	142	92	,	,	PUNCT
eurjchem-2480	142	93	15	15	NUM
eurjchem-2480	142	94	,	,	PUNCT
eurjchem-2480	142	95	70	70	NUM
eurjchem-2480	142	96	for	for	ADP
eurjchem-2480	142	97	gto	gto	PROPN
eurjchem-2480	142	98	and	and	CCONJ
eurjchem-2480	142	99	p	p	X
eurjchem-2480	142	100	,	,	PUNCT
eurjchem-2480	142	101	q	q	X
eurjchem-2480	142	102	=	=	NOUN
eurjchem-2480	142	103	0.3	0.3	NUM
eurjchem-2480	142	104	,	,	PUNCT
eurjchem-2480	142	105	1	1	NUM
eurjchem-2480	142	106	,	,	PUNCT
eurjchem-2480	142	107	3	3	NUM
eurjchem-2480	142	108	,	,	PUNCT
eurjchem-2480	142	109	6	6	NUM
eurjchem-2480	142	110	for	for	ADP
eurjchem-2480	142	111	sto	sto	NOUN
eurjchem-2480	142	112	,	,	PUNCT
eurjchem-2480	142	113	as	as	ADV
eurjchem-2480	142	114	well	well	ADV
eurjchem-2480	142	115	as	as	ADP
eurjchem-2480	142	116	gai(p	gai(p	NOUN
eurjchem-2480	142	117	or	or	CCONJ
eurjchem-2480	142	118	q	q	NOUN
eurjchem-2480	142	119	,	,	PUNCT
eurjchem-2480	142	120	0	0	NUM
eurjchem-2480	142	121	,	,	PUNCT
eurjchem-2480	142	122	0	0	NUM
eurjchem-2480	142	123	,	,	PUNCT
eurjchem-2480	142	124	0	0	NUM
eurjchem-2480	142	125	)	)	PUNCT
eurjchem-2480	142	126	was	be	AUX
eurjchem-2480	142	127	used	use	VERB
eurjchem-2480	142	128	from	from	ADP
eurjchem-2480	142	129	equation	equation	NOUN
eurjchem-2480	142	130	1	1	NUM
eurjchem-2480	142	131	.	.	PUNCT
eurjchem-2480	143	1	additionally	additionally	ADV
eurjchem-2480	143	2	,	,	PUNCT
eurjchem-2480	143	3	we	we	PRON
eurjchem-2480	143	4	have	have	AUX
eurjchem-2480	143	5	compared	compare	VERB
eurjchem-2480	143	6	the	the	DET
eurjchem-2480	143	7	numerical	numerical	ADJ
eurjchem-2480	143	8	equation	equation	NOUN
eurjchem-2480	143	9	15	15	NUM
eurjchem-2480	143	10	with	with	ADP
eurjchem-2480	143	11	the	the	DET
eurjchem-2480	143	12	improved	improve	VERB
eurjchem-2480	143	13	numerical	numerical	ADJ
eurjchem-2480	143	14	equations	equation	NOUN
eurjchem-2480	143	15	16	16	NUM
eurjchem-2480	143	16	and	and	CCONJ
eurjchem-2480	143	17	17	17	NUM
eurjchem-2480	143	18	using	use	VERB
eurjchem-2480	143	19	lr	lr	X
eurjchem-2480	143	20	=	=	SYM
eurjchem-2480	143	21	{	{	PUNCT
eurjchem-2480	143	22	20	20	NUM
eurjchem-2480	143	23	,	,	PUNCT
eurjchem-2480	143	24	22	22	NUM
eurjchem-2480	143	25	,	,	PUNCT
eurjchem-2480	143	26	24	24	NUM
eurjchem-2480	143	27	}	}	PUNCT
eurjchem-2480	143	28	(	(	PUNCT
eurjchem-2480	143	29	low	low	ADJ
eurjchem-2480	143	30	)	)	PUNCT
eurjchem-2480	143	31	,	,	PUNCT
eurjchem-2480	143	32	{	{	PUNCT
eurjchem-2480	143	33	50	50	NUM
eurjchem-2480	143	34	,	,	PUNCT
eurjchem-2480	143	35	52	52	NUM
eurjchem-2480	143	36	,	,	PUNCT
eurjchem-2480	143	37	54	54	NUM
eurjchem-2480	143	38	}	}	PUNCT
eurjchem-2480	143	39	,	,	PUNCT
eurjchem-2480	143	40	and	and	CCONJ
eurjchem-2480	143	41	{	{	PUNCT
eurjchem-2480	143	42	100	100	NUM
eurjchem-2480	143	43	,	,	PUNCT
eurjchem-2480	143	44	102	102	NUM
eurjchem-2480	143	45	}	}	PUNCT
eurjchem-2480	143	46	(	(	PUNCT
eurjchem-2480	143	47	high	high	ADJ
eurjchem-2480	143	48	)	)	PUNCT
eurjchem-2480	143	49	values	value	NOUN
eurjchem-2480	143	50	for	for	ADP
eurjchem-2480	143	51	the	the	DET
eurjchem-2480	143	52	mesh	mesh	NOUN
eurjchem-2480	143	53	points	point	NOUN
eurjchem-2480	143	54	in	in	ADP
eurjchem-2480	143	55	the	the	DET
eurjchem-2480	143	56	integration	integration	NOUN
eurjchem-2480	143	57	for	for	ADP
eurjchem-2480	143	58	dr1dr2dr3	dr1dr2dr3	NOUN
eurjchem-2480	143	59	and	and	CCONJ
eurjchem-2480	143	60	dr1dr2	dr1dr2	NOUN
eurjchem-2480	143	61	together	together	ADV
eurjchem-2480	143	62	with	with	ADP
eurjchem-2480	143	63	equation	equation	NOUN
eurjchem-2480	143	64	2	2	NUM
eurjchem-2480	143	65	.	.	PUNCT
eurjchem-2480	144	1	the	the	DET
eurjchem-2480	144	2	slightly	slightly	ADV
eurjchem-2480	144	3	different	different	ADJ
eurjchem-2480	144	4	lr	lr	NOUN
eurjchem-2480	144	5	values	value	NOUN
eurjchem-2480	144	6	in	in	ADP
eurjchem-2480	144	7	the	the	DET
eurjchem-2480	144	8	set	set	NOUN
eurjchem-2480	144	9	(	(	PUNCT
eurjchem-2480	144	10	containing	contain	VERB
eurjchem-2480	144	11	3	3	NUM
eurjchem-2480	144	12	,	,	PUNCT
eurjchem-2480	144	13	3	3	NUM
eurjchem-2480	144	14	,	,	PUNCT
eurjchem-2480	144	15	and	and	CCONJ
eurjchem-2480	144	16	2	2	NUM
eurjchem-2480	144	17	values	value	NOUN
eurjchem-2480	144	18	,	,	PUNCT
eurjchem-2480	144	19	respectively	respectively	ADV
eurjchem-2480	144	20	,	,	PUNCT
eurjchem-2480	144	21	e.g.	e.g.	ADV
eurjchem-2480	144	22	,	,	PUNCT
eurjchem-2480	144	23	100	100	NUM
eurjchem-2480	144	24	vs.	vs.	ADP
eurjchem-2480	144	25	102	102	NUM
eurjchem-2480	144	26	)	)	PUNCT
eurjchem-2480	144	27	were	be	AUX
eurjchem-2480	144	28	used	use	VERB
eurjchem-2480	144	29	to	to	PART
eurjchem-2480	144	30	avoid	avoid	VERB
eurjchem-2480	144	31	singularity	singularity	NOUN
eurjchem-2480	144	32	by	by	ADP
eurjchem-2480	144	33	r12	r12	NOUN
eurjchem-2480	144	34	-	-	PUNCT
eurjchem-2480	144	35	n.	n.	NOUN
eurjchem-2480	144	36	the	the	DET
eurjchem-2480	144	37	%	%	NOUN
eurjchem-2480	144	38	error	error	NOUN
eurjchem-2480	144	39	was	be	AUX
eurjchem-2480	144	40	defined	define	VERB
eurjchem-2480	144	41	as	as	ADP
eurjchem-2480	144	42	100(1-(numerical/	100(1-(numerical/	NUM
eurjchem-2480	144	43	analytical	analytical	ADJ
eurjchem-2480	144	44	)	)	PUNCT
eurjchem-2480	144	45	)	)	PUNCT
eurjchem-2480	144	46	.	.	PUNCT
eurjchem-2480	145	1	the	the	DET
eurjchem-2480	145	2	test	test	NOUN
eurjchem-2480	145	3	values	value	NOUN
eurjchem-2480	145	4	obtained	obtain	VERB
eurjchem-2480	145	5	are	be	AUX
eurjchem-2480	145	6	summarized	summarize	VERB
eurjchem-2480	145	7	in	in	ADP
eurjchem-2480	145	8	table	table	NOUN
eurjchem-2480	145	9	1	1	NUM
eurjchem-2480	145	10	.	.	PUNCT
eurjchem-2480	146	1	the	the	DET
eurjchem-2480	146	2	conclusion	conclusion	NOUN
eurjchem-2480	146	3	of	of	ADP
eurjchem-2480	146	4	this	this	DET
eurjchem-2480	146	5	test	test	NOUN
eurjchem-2480	146	6	is	be	AUX
eurjchem-2480	146	7	as	as	SCONJ
eurjchem-2480	146	8	follows	follow	VERB
eurjchem-2480	146	9	.	.	PUNCT
eurjchem-2480	147	1	few	few	ADJ
eurjchem-2480	147	2	radial	radial	ADJ
eurjchem-2480	147	3	points	point	NOUN
eurjchem-2480	147	4	(	(	PUNCT
eurjchem-2480	147	5	lr	lr	X
eurjchem-2480	147	6	=	=	SYM
eurjchem-2480	147	7	20	20	NUM
eurjchem-2480	147	8	)	)	PUNCT
eurjchem-2480	147	9	compete	compete	VERB
eurjchem-2480	147	10	with	with	ADP
eurjchem-2480	147	11	larger	large	ADJ
eurjchem-2480	147	12	ones	one	NOUN
eurjchem-2480	147	13	in	in	ADP
eurjchem-2480	147	14	numerical	numerical	ADJ
eurjchem-2480	147	15	integration	integration	NOUN
eurjchem-2480	147	16	,	,	PUNCT
eurjchem-2480	147	17	which	which	PRON
eurjchem-2480	147	18	is	be	AUX
eurjchem-2480	147	19	good	good	ADJ
eurjchem-2480	147	20	for	for	ADP
eurjchem-2480	147	21	reducing	reduce	VERB
eurjchem-2480	147	22	the	the	DET
eurjchem-2480	147	23	computation	computation	NOUN
eurjchem-2480	147	24	time	time	NOUN
eurjchem-2480	147	25	.	.	PUNCT
eurjchem-2480	148	1	an	an	DET
eurjchem-2480	148	2	analytical	analytical	ADJ
eurjchem-2480	148	3	expression	expression	NOUN
eurjchem-2480	148	4	for	for	ADP
eurjchem-2480	148	5	a	a	DET
eurjchem-2480	148	6	gto	gto	NOUN
eurjchem-2480	148	7	(	(	PUNCT
eurjchem-2480	148	8	like	like	ADP
eurjchem-2480	148	9	in	in	ADP
eurjchem-2480	148	10	equation	equation	NOUN
eurjchem-2480	148	11	3	3	NUM
eurjchem-2480	148	12	,	,	PUNCT
eurjchem-2480	148	13	etc	etc	X
eurjchem-2480	148	14	.	.	X
eurjchem-2480	148	15	)	)	PUNCT
eurjchem-2480	148	16	is	be	AUX
eurjchem-2480	148	17	one	one	NUM
eurjchem-2480	148	18	equation	equation	NOUN
eurjchem-2480	148	19	with	with	ADP
eurjchem-2480	148	20	a	a	DET
eurjchem-2480	148	21	few	few	ADJ
eurjchem-2480	148	22	operations	operation	NOUN
eurjchem-2480	148	23	in	in	ADP
eurjchem-2480	148	24	contrast	contrast	NOUN
eurjchem-2480	148	25	to	to	ADP
eurjchem-2480	148	26	(	(	PUNCT
eurjchem-2480	148	27	lrls)m	lrls)m	PROPN
eurjchem-2480	148	28	operations	operation	NOUN
eurjchem-2480	148	29	(	(	PUNCT
eurjchem-2480	148	30	m	m	NOUN
eurjchem-2480	148	31	=	=	SYM
eurjchem-2480	148	32	1	1	NUM
eurjchem-2480	148	33	,	,	PUNCT
eurjchem-2480	148	34	2	2	NUM
eurjchem-2480	148	35	,	,	PUNCT
eurjchem-2480	148	36	3	3	NUM
eurjchem-2480	148	37	)	)	PUNCT
eurjchem-2480	148	38	in	in	ADP
eurjchem-2480	148	39	numerical	numerical	ADJ
eurjchem-2480	148	40	integration	integration	NOUN
eurjchem-2480	148	41	by	by	ADP
eurjchem-2480	148	42	equations	equation	NOUN
eurjchem-2480	148	43	13	13	NUM
eurjchem-2480	148	44	-	-	SYM
eurjchem-2480	148	45	17	17	NUM
eurjchem-2480	148	46	,	,	PUNCT
eurjchem-2480	148	47	the	the	DET
eurjchem-2480	148	48	latter	latter	ADJ
eurjchem-2480	148	49	is	be	AUX
eurjchem-2480	148	50	the	the	DET
eurjchem-2480	148	51	same	same	ADJ
eurjchem-2480	148	52	for	for	ADP
eurjchem-2480	148	53	this	this	DET
eurjchem-2480	148	54	single	single	ADJ
eurjchem-2480	148	55	gto	gto	NOUN
eurjchem-2480	148	56	or	or	CCONJ
eurjchem-2480	148	57	for	for	ADP
eurjchem-2480	148	58	the	the	DET
eurjchem-2480	148	59	entire	entire	ADJ
eurjchem-2480	148	60	ρmodel	ρmodel	NOUN
eurjchem-2480	148	61	.	.	PUNCT
eurjchem-2480	149	1	however	however	ADV
eurjchem-2480	149	2	,	,	PUNCT
eurjchem-2480	149	3	in	in	ADP
eurjchem-2480	149	4	hf	hf	PROPN
eurjchem-2480	149	5	-	-	PUNCT
eurjchem-2480	149	6	scf	scf	NOUN
eurjchem-2480	149	7	or	or	CCONJ
eurjchem-2480	149	8	dft	dft	NOUN
eurjchem-2480	149	9	routines	routine	NOUN
eurjchem-2480	149	10	,	,	PUNCT
eurjchem-2480	149	11	a	a	DET
eurjchem-2480	149	12	large	large	ADJ
eurjchem-2480	149	13	lc	lc	NOUN
eurjchem-2480	149	14	of	of	ADP
eurjchem-2480	149	15	gto	gto	PROPN
eurjchem-2480	149	16	has	have	VERB
eurjchem-2480	149	17	to	to	PART
eurjchem-2480	149	18	be	be	AUX
eurjchem-2480	149	19	evaluated	evaluate	VERB
eurjchem-2480	149	20	when	when	SCONJ
eurjchem-2480	149	21	expressing	express	VERB
eurjchem-2480	149	22	the	the	DET
eurjchem-2480	149	23	ρmodel	ρmodel	NOUN
eurjchem-2480	149	24	,	,	PUNCT
eurjchem-2480	149	25	so	so	ADV
eurjchem-2480	149	26	for	for	ADP
eurjchem-2480	149	27	expressions	expression	NOUN
eurjchem-2480	149	28	like	like	ADP
eurjchem-2480	149	29	the	the	DET
eurjchem-2480	149	30	ones	one	NOUN
eurjchem-2480	149	31	in	in	ADP
eurjchem-2480	149	32	the	the	DET
eurjchem-2480	149	33	abstract	abstract	NOUN
eurjchem-2480	149	34	,	,	PUNCT
eurjchem-2480	149	35	the	the	DET
eurjchem-2480	149	36	number	number	NOUN
eurjchem-2480	149	37	of	of	ADP
eurjchem-2480	149	38	operations	operation	NOUN
eurjchem-2480	149	39	can	can	AUX
eurjchem-2480	149	40	be	be	AUX
eurjchem-2480	149	41	the	the	DET
eurjchem-2480	149	42	same	same	ADJ
eurjchem-2480	149	43	for	for	ADP
eurjchem-2480	149	44	analytical	analytical	ADJ
eurjchem-2480	149	45	and	and	CCONJ
eurjchem-2480	149	46	numerical	numerical	ADJ
eurjchem-2480	149	47	integrations	integration	NOUN
eurjchem-2480	149	48	.	.	PUNCT
eurjchem-2480	150	1	the	the	DET
eurjchem-2480	150	2	w	w	NOUN
eurjchem-2480	150	3	in	in	ADP
eurjchem-2480	150	4	equation	equation	NOUN
eurjchem-2480	150	5	2	2	NUM
eurjchem-2480	150	6	can	can	AUX
eurjchem-2480	150	7	deform	deform	VERB
eurjchem-2480	150	8	the	the	DET
eurjchem-2480	150	9	angular	angular	ADJ
eurjchem-2480	150	10	and	and	CCONJ
eurjchem-2480	150	11	radial	radial	ADJ
eurjchem-2480	150	12	symmetry	symmetry	NOUN
eurjchem-2480	150	13	if	if	SCONJ
eurjchem-2480	150	14	w	w	PROPN
eurjchem-2480	150	15	≠	≠	PROPN
eurjchem-2480	150	16	1	1	NUM
eurjchem-2480	150	17	,	,	PUNCT
eurjchem-2480	150	18	and	and	CCONJ
eurjchem-2480	150	19	it	it	PRON
eurjchem-2480	150	20	can	can	AUX
eurjchem-2480	150	21	decrease	decrease	VERB
eurjchem-2480	150	22	the	the	DET
eurjchem-2480	150	23	numerical	numerical	ADJ
eurjchem-2480	150	24	accuracy	accuracy	NOUN
eurjchem-2480	150	25	;	;	PUNCT
eurjchem-2480	150	26	however	however	ADV
eurjchem-2480	150	27	,	,	PUNCT
eurjchem-2480	150	28	this	this	DET
eurjchem-2480	150	29	situation	situation	NOUN
eurjchem-2480	150	30	is	be	AUX
eurjchem-2480	150	31	the	the	DET
eurjchem-2480	150	32	same	same	ADJ
eurjchem-2480	150	33	in	in	ADP
eurjchem-2480	150	34	general	general	ADJ
eurjchem-2480	150	35	cc	cc	NOUN
eurjchem-2480	150	36	formulas	formula	NOUN
eurjchem-2480	150	37	when	when	SCONJ
eurjchem-2480	150	38	using	use	VERB
eurjchem-2480	150	39	equation	equation	NOUN
eurjchem-2480	150	40	13	13	NUM
eurjchem-2480	150	41	in	in	ADP
eurjchem-2480	150	42	3	3	NUM
eurjchem-2480	150	43	dimensions	dimension	NOUN
eurjchem-2480	150	44	as	as	ADV
eurjchem-2480	150	45	well	well	ADV
eurjchem-2480	150	46	.	.	PUNCT
eurjchem-2480	151	1	in	in	ADP
eurjchem-2480	151	2	summary	summary	NOUN
eurjchem-2480	151	3	,	,	PUNCT
eurjchem-2480	151	4	the	the	DET
eurjchem-2480	151	5	numerical	numerical	ADJ
eurjchem-2480	151	6	integration	integration	NOUN
eurjchem-2480	151	7	scheme	scheme	NOUN
eurjchem-2480	151	8	in	in	ADP
eurjchem-2480	151	9	equations	equation	NOUN
eurjchem-2480	151	10	13	13	NUM
eurjchem-2480	151	11	-	-	SYM
eurjchem-2480	151	12	17	17	NUM
eurjchem-2480	151	13	is	be	AUX
eurjchem-2480	151	14	an	an	DET
eurjchem-2480	151	15	useful	useful	ADJ
eurjchem-2480	151	16	,	,	PUNCT
eurjchem-2480	151	17	accurate	accurate	ADJ
eurjchem-2480	151	18	,	,	PUNCT
eurjchem-2480	151	19	recommended	recommend	VERB
eurjchem-2480	151	20	,	,	PUNCT
eurjchem-2480	151	21	and	and	CCONJ
eurjchem-2480	151	22	the	the	DET
eurjchem-2480	151	23	only	only	ADJ
eurjchem-2480	151	24	option	option	NOUN
eurjchem-2480	151	25	if	if	SCONJ
eurjchem-2480	151	26	analytical	analytical	ADJ
eurjchem-2480	151	27	integration	integration	NOUN
eurjchem-2480	151	28	is	be	AUX
eurjchem-2480	151	29	not	not	PART
eurjchem-2480	151	30	available	available	ADJ
eurjchem-2480	151	31	.	.	PUNCT
eurjchem-2480	152	1	4	4	X
eurjchem-2480	152	2	.	.	X
eurjchem-2480	152	3	the	the	DET
eurjchem-2480	152	4	higher	high	ADJ
eurjchem-2480	152	5	moment	moment	NOUN
eurjchem-2480	152	6	coulombic	coulombic	ADJ
eurjchem-2480	152	7	energy	energy	NOUN
eurjchem-2480	152	8	operators	operator	NOUN
eurjchem-2480	152	9	in	in	ADP
eurjchem-2480	152	10	practice	practice	NOUN
eurjchem-2480	152	11	in	in	ADP
eurjchem-2480	152	12	short	short	ADJ
eurjchem-2480	152	13	,	,	PUNCT
eurjchem-2480	152	14	ci	ci	PROPN
eurjchem-2480	152	15	(	(	PUNCT
eurjchem-2480	152	16	including	include	VERB
eurjchem-2480	152	17	correlation	correlation	NOUN
eurjchem-2480	152	18	effects	effect	NOUN
eurjchem-2480	152	19	)	)	PUNCT
eurjchem-2480	152	20	and	and	CCONJ
eurjchem-2480	152	21	hf	hf	PROPN
eurjchem-2480	152	22	-	-	PUNCT
eurjchem-2480	152	23	scf	scf	PROPN
eurjchem-2480	152	24	(	(	PUNCT
eurjchem-2480	152	25	without	without	ADP
eurjchem-2480	152	26	correlation	correlation	NOUN
eurjchem-2480	152	27	correction	correction	NOUN
eurjchem-2480	152	28	)	)	PUNCT
eurjchem-2480	152	29	methods	method	NOUN
eurjchem-2480	152	30	use	use	VERB
eurjchem-2480	152	31	analytical	analytical	ADJ
eurjchem-2480	152	32	integration	integration	NOUN
eurjchem-2480	153	1	[	[	X
eurjchem-2480	153	2	5,19	5,19	X
eurjchem-2480	153	3	]	]	X
eurjchem-2480	153	4	,	,	PUNCT
eurjchem-2480	153	5	while	while	SCONJ
eurjchem-2480	153	6	dft	dft	PROPN
eurjchem-2480	153	7	uses	use	VERB
eurjchem-2480	153	8	numerical	numerical	ADJ
eurjchem-2480	153	9	integration	integration	NOUN
eurjchem-2480	153	10	(	(	PUNCT
eurjchem-2480	153	11	equation	equation	NOUN
eurjchem-2480	153	12	13	13	NUM
eurjchem-2480	153	13	)	)	PUNCT
eurjchem-2480	153	14	for	for	ADP
eurjchem-2480	153	15	correlation	correlation	NOUN
eurjchem-2480	153	16	effects	effect	NOUN
eurjchem-2480	154	1	[	[	X
eurjchem-2480	154	2	1,2	1,2	NUM
eurjchem-2480	154	3	]	]	PUNCT
eurjchem-2480	154	4	today	today	NOUN
eurjchem-2480	154	5	.	.	PUNCT
eurjchem-2480	155	1	numerical	numerical	ADJ
eurjchem-2480	155	2	integration	integration	NOUN
eurjchem-2480	155	3	in	in	ADP
eurjchem-2480	155	4	cc	cc	PROPN
eurjchem-2480	155	5	is	be	AUX
eurjchem-2480	155	6	widely	widely	ADV
eurjchem-2480	155	7	used	use	VERB
eurjchem-2480	155	8	,	,	PUNCT
eurjchem-2480	155	9	accepted	accept	VERB
eurjchem-2480	155	10	,	,	PUNCT
eurjchem-2480	155	11	and	and	CCONJ
eurjchem-2480	155	12	indispensable	indispensable	ADJ
eurjchem-2480	155	13	in	in	ADP
eurjchem-2480	155	14	approximate	approximate	ADJ
eurjchem-2480	155	15	solutions	solution	NOUN
eurjchem-2480	155	16	of	of	ADP
eurjchem-2480	155	17	the	the	DET
eurjchem-2480	155	18	schrödinger	schrödinger	ADJ
eurjchem-2480	155	19	equation	equation	NOUN
eurjchem-2480	155	20	for	for	ADP
eurjchem-2480	155	21	electronic	electronic	ADJ
eurjchem-2480	155	22	structures	structure	NOUN
eurjchem-2480	155	23	of	of	ADP
eurjchem-2480	155	24	molecular	molecular	ADJ
eurjchem-2480	155	25	systems	system	NOUN
eurjchem-2480	155	26	,	,	PUNCT
eurjchem-2480	155	27	where	where	SCONJ
eurjchem-2480	155	28	certain	certain	ADJ
eurjchem-2480	155	29	nonlinear	nonlinear	NOUN
eurjchem-2480	155	30	f(ρ(1	f(ρ(1	NOUN
eurjchem-2480	155	31	)	)	PUNCT
eurjchem-2480	155	32	,	,	PUNCT
eurjchem-2480	155	33	…	…	PUNCT
eurjchem-2480	155	34	)	)	PUNCT
eurjchem-2480	155	35	functions	function	NOUN
eurjchem-2480	155	36	with	with	ADP
eurjchem-2480	155	37	or	or	CCONJ
eurjchem-2480	155	38	without	without	ADP
eurjchem-2480	155	39	energy	energy	NOUN
eurjchem-2480	155	40	operators	operator	NOUN
eurjchem-2480	155	41	(	(	PUNCT
eurjchem-2480	155	42	equation	equation	NOUN
eurjchem-2480	155	43	2	2	NUM
eurjchem-2480	155	44	)	)	PUNCT
eurjchem-2480	155	45	come	come	VERB
eurjchem-2480	155	46	up	up	ADP
eurjchem-2480	155	47	.	.	PUNCT
eurjchem-2480	156	1	interestingly	interestingly	ADV
eurjchem-2480	156	2	,	,	PUNCT
eurjchem-2480	156	3	two	two	NUM
eurjchem-2480	156	4	typical	typical	ADJ
eurjchem-2480	156	5	quantum	quantum	ADJ
eurjchem-2480	156	6	phenomena	phenomenon	NOUN
eurjchem-2480	156	7	show	show	VERB
eurjchem-2480	156	8	a	a	DET
eurjchem-2480	156	9	simple	simple	ADJ
eurjchem-2480	156	10	,	,	PUNCT
eurjchem-2480	156	11	approximate	approximate	ADJ
eurjchem-2480	156	12	linear	linear	PROPN
eurjchem-2480	156	13	relationship	relationship	NOUN
eurjchem-2480	156	14	.	.	PUNCT
eurjchem-2480	157	1	first	first	ADV
eurjchem-2480	157	2	,	,	PUNCT
eurjchem-2480	157	3	the	the	DET
eurjchem-2480	157	4	correlation	correlation	NOUN
eurjchem-2480	157	5	energy	energy	NOUN
eurjchem-2480	157	6	[	[	X
eurjchem-2480	157	7	7,20	7,20	X
eurjchem-2480	157	8	]	]	X
eurjchem-2480	157	9	,	,	PUNCT
eurjchem-2480	157	10	which	which	PRON
eurjchem-2480	157	11	is	be	AUX
eurjchem-2480	157	12	more	more	ADJ
eurjchem-2480	157	13	a	a	DET
eurjchem-2480	157	14	mathematical	mathematical	ADJ
eurjchem-2480	157	15	correction	correction	NOUN
eurjchem-2480	157	16	than	than	ADP
eurjchem-2480	157	17	a	a	DET
eurjchem-2480	157	18	physical	physical	ADJ
eurjchem-2480	157	19	phenomenon	phenomenon	NOUN
eurjchem-2480	157	20	,	,	PUNCT
eurjchem-2480	157	21	obeys	obey	VERB
eurjchem-2480	157	22	the	the	DET
eurjchem-2480	157	23	equation	equation	NOUN
eurjchem-2480	157	24	.	.	PUNCT
eurjchem-2480	158	1	-0.045	-0.045	PROPN
eurjchem-2480	158	2	(	(	PUNCT
eurjchem-2480	158	3	n-1	n-1	NUM
eurjchem-2480	158	4	)	)	PUNCT
eurjchem-2480	158	5	<	<	X
eurjchem-2480	158	6	ecorr[hartree	ecorr[hartree	X
eurjchem-2480	158	7	]	]	X
eurjchem-2480	158	8	<	<	X
eurjchem-2480	158	9	-0.030	-0.030	PUNCT
eurjchem-2480	158	10	(	(	PUNCT
eurjchem-2480	158	11	n-1	n-1	PROPN
eurjchem-2480	158	12	)	)	PUNCT
eurjchem-2480	158	13	(	(	PUNCT
eurjchem-2480	158	14	18	18	NUM
eurjchem-2480	158	15	)	)	PUNCT
eurjchem-2480	158	16	equation	equation	NOUN
eurjchem-2480	158	17	18	18	NUM
eurjchem-2480	158	18	is	be	AUX
eurjchem-2480	158	19	a	a	DET
eurjchem-2480	158	20	quasi	quasi	ADJ
eurjchem-2480	158	21	-	-	ADJ
eurjchem-2480	158	22	linear	linear	ADJ
eurjchem-2480	158	23	relationship	relationship	NOUN
eurjchem-2480	158	24	(	(	PUNCT
eurjchem-2480	158	25	regression	regression	NOUN
eurjchem-2480	158	26	97.2	97.2	NUM
eurjchem-2480	158	27	%	%	NOUN
eurjchem-2480	158	28	,	,	PUNCT
eurjchem-2480	158	29	standard	standard	ADJ
eurjchem-2480	158	30	deviation	deviation	NOUN
eurjchem-2480	158	31	49	49	NUM
eurjchem-2480	158	32	kcal	kcal	ADJ
eurjchem-2480	158	33	/	/	SYM
eurjchem-2480	158	34	mole	mole	NOUN
eurjchem-2480	158	35	)	)	PUNCT
eurjchem-2480	158	36	with	with	ADP
eurjchem-2480	158	37	the	the	DET
eurjchem-2480	158	38	number	number	NOUN
eurjchem-2480	158	39	of	of	ADP
eurjchem-2480	158	40	electrons	electron	NOUN
eurjchem-2480	158	41	,	,	PUNCT
eurjchem-2480	158	42	n	n	CCONJ
eurjchem-2480	158	43	,	,	PUNCT
eurjchem-2480	158	44	and	and	CCONJ
eurjchem-2480	158	45	it	it	PRON
eurjchem-2480	158	46	slightly	slightly	ADV
eurjchem-2480	158	47	fluctuates	fluctuate	VERB
eurjchem-2480	158	48	with	with	ADP
eurjchem-2480	158	49	the	the	DET
eurjchem-2480	158	50	nuclear	nuclear	ADJ
eurjchem-2480	158	51	frame	frame	NOUN
eurjchem-2480	158	52	and	and	CCONJ
eurjchem-2480	158	53	molecular	molecular	ADJ
eurjchem-2480	158	54	charge	charge	NOUN
eurjchem-2480	158	55	[	[	X
eurjchem-2480	158	56	21	21	NUM
eurjchem-2480	158	57	]	]	PUNCT
eurjchem-2480	158	58	;	;	PUNCT
eurjchem-2480	158	59	see	see	VERB
eurjchem-2480	158	60	appendix	appendix	NOUN
eurjchem-2480	158	61	3	3	NUM
eurjchem-2480	158	62	.	.	PUNCT
eurjchem-2480	159	1	the	the	DET
eurjchem-2480	159	2	slight	slight	ADJ
eurjchem-2480	159	3	fluctuation	fluctuation	NOUN
eurjchem-2480	159	4	means	mean	VERB
eurjchem-2480	159	5	that	that	SCONJ
eurjchem-2480	159	6	equation	equation	NOUN
eurjchem-2480	159	7	18	18	NUM
eurjchem-2480	159	8	holds	hold	VERB
eurjchem-2480	159	9	for	for	ADP
eurjchem-2480	159	10	any	any	DET
eurjchem-2480	159	11	molecular	molecular	ADJ
eurjchem-2480	159	12	system	system	NOUN
eurjchem-2480	159	13	,	,	PUNCT
eurjchem-2480	159	14	but	but	CCONJ
eurjchem-2480	159	15	since	since	SCONJ
eurjchem-2480	159	16	the	the	DET
eurjchem-2480	159	17	gap	gap	NOUN
eurjchem-2480	159	18	increases	increase	VERB
eurjchem-2480	159	19	linearly	linearly	ADV
eurjchem-2480	159	20	with	with	ADP
eurjchem-2480	159	21	n	n	PRON
eurjchem-2480	159	22	as	as	ADP
eurjchem-2480	159	23	0.015(n1	0.015(n1	NOUN
eurjchem-2480	159	24	)	)	PUNCT
eurjchem-2480	159	25	,	,	PUNCT
eurjchem-2480	159	26	it	it	PRON
eurjchem-2480	159	27	is	be	AUX
eurjchem-2480	159	28	far	far	ADV
eurjchem-2480	159	29	from	from	ADP
eurjchem-2480	159	30	being	be	AUX
eurjchem-2480	159	31	chemically	chemically	ADV
eurjchem-2480	159	32	accurate	accurate	ADJ
eurjchem-2480	159	33	.	.	PUNCT
eurjchem-2480	160	1	however	however	ADV
eurjchem-2480	160	2	,	,	PUNCT
eurjchem-2480	160	3	it	it	PRON
eurjchem-2480	160	4	is	be	AUX
eurjchem-2480	160	5	excellent	excellent	ADJ
eurjchem-2480	160	6	for	for	ADP
eurjchem-2480	160	7	predicting	predict	VERB
eurjchem-2480	160	8	magnitude	magnitude	NOUN
eurjchem-2480	160	9	.	.	PUNCT
eurjchem-2480	161	1	to	to	PART
eurjchem-2480	161	2	reach	reach	VERB
eurjchem-2480	161	3	chemical	chemical	ADJ
eurjchem-2480	161	4	accuracy	accuracy	NOUN
eurjchem-2480	161	5	,	,	PUNCT
eurjchem-2480	161	6	an	an	DET
eurjchem-2480	161	7	adequate	adequate	ADJ
eurjchem-2480	161	8	cc	cc	NOUN
eurjchem-2480	161	9	is	be	AUX
eurjchem-2480	161	10	needed	need	VERB
eurjchem-2480	161	11	.	.	PUNCT
eurjchem-2480	162	1	the	the	DET
eurjchem-2480	162	2	ecorr	ecorr	NOUN
eurjchem-2480	162	3	is	be	AUX
eurjchem-2480	162	4	a	a	DET
eurjchem-2480	162	5	computation	computation	NOUN
eurjchem-2480	162	6	handicap	handicap	NOUN
eurjchem-2480	162	7	to	to	PART
eurjchem-2480	162	8	correct	correct	VERB
eurjchem-2480	162	9	the	the	DET
eurjchem-2480	162	10	single	single	ADJ
eurjchem-2480	162	11	-	-	PUNCT
eurjchem-2480	162	12	determinant	determinant	ADJ
eurjchem-2480	162	13	approximation	approximation	NOUN
eurjchem-2480	162	14	for	for	ADP
eurjchem-2480	162	15	the	the	DET
eurjchem-2480	162	16	ground	ground	NOUN
eurjchem-2480	162	17	-	-	PUNCT
eurjchem-2480	162	18	state	state	NOUN
eurjchem-2480	162	19	wave	wave	NOUN
eurjchem-2480	162	20	function	function	NOUN
eurjchem-2480	162	21	.	.	PUNCT
eurjchem-2480	163	1	(	(	PUNCT
eurjchem-2480	163	2	if	if	SCONJ
eurjchem-2480	163	3	hee	hee	PROPN
eurjchem-2480	163	4	is	be	AUX
eurjchem-2480	163	5	algebraically	algebraically	ADV
eurjchem-2480	163	6	removed	remove	VERB
eurjchem-2480	163	7	from	from	ADP
eurjchem-2480	163	8	the	the	DET
eurjchem-2480	163	9	hamiltonian	hamiltonian	NOUN
eurjchem-2480	163	10	,	,	PUNCT
eurjchem-2480	163	11	the	the	DET
eurjchem-2480	163	12	single	single	ADJ
eurjchem-2480	163	13	-	-	PUNCT
eurjchem-2480	163	14	determinant	determinant	ADJ
eurjchem-2480	163	15	form	form	NOUN
eurjchem-2480	163	16	is	be	AUX
eurjchem-2480	163	17	an	an	DET
eurjchem-2480	163	18	accurate	accurate	ADJ
eurjchem-2480	163	19	solution	solution	NOUN
eurjchem-2480	163	20	[	[	X
eurjchem-2480	163	21	13	13	NUM
eurjchem-2480	163	22	]	]	PUNCT
eurjchem-2480	163	23	for	for	ADP
eurjchem-2480	163	24	ground	ground	NOUN
eurjchem-2480	163	25	and	and	CCONJ
eurjchem-2480	163	26	excited	excited	ADJ
eurjchem-2480	163	27	eigenfunctions	eigenfunction	NOUN
eurjchem-2480	163	28	;	;	PUNCT
eurjchem-2480	163	29	see	see	VERB
eurjchem-2480	163	30	appendix	appendix	NOUN
eurjchem-2480	163	31	3	3	NUM
eurjchem-2480	163	32	.	.	PUNCT
eurjchem-2480	163	33	)	)	PUNCT
eurjchem-2480	164	1	an	an	DET
eurjchem-2480	164	2	important	important	ADJ
eurjchem-2480	164	3	restriction	restriction	NOUN
eurjchem-2480	164	4	is	be	AUX
eurjchem-2480	164	5	that	that	SCONJ
eurjchem-2480	164	6	equation	equation	NOUN
eurjchem-2480	164	7	18	18	NUM
eurjchem-2480	164	8	is	be	AUX
eurjchem-2480	164	9	based	base	VERB
eurjchem-2480	164	10	on	on	ADP
eurjchem-2480	164	11	hf	hf	PROPN
eurjchem-2480	164	12	-	-	PUNCT
eurjchem-2480	164	13	scf/6	scf/6	PROPN
eurjchem-2480	164	14	-	-	PUNCT
eurjchem-2480	164	15	31	31	NUM
eurjchem-2480	164	16	g	g	NOUN
eurjchem-2480	164	17	*	*	NOUN
eurjchem-2480	164	18	level	level	NOUN
eurjchem-2480	164	19	calculations	calculation	NOUN
eurjchem-2480	164	20	and	and	CCONJ
eurjchem-2480	164	21	can	can	AUX
eurjchem-2480	164	22	be	be	AUX
eurjchem-2480	164	23	tuned	tune	VERB
eurjchem-2480	164	24	accordingly	accordingly	ADV
eurjchem-2480	164	25	for	for	ADP
eurjchem-2480	164	26	other	other	ADJ
eurjchem-2480	164	27	bases	basis	NOUN
eurjchem-2480	164	28	.	.	PUNCT
eurjchem-2480	165	1	second	second	ADJ
eurjchem-2480	165	2	,	,	PUNCT
eurjchem-2480	165	3	the	the	DET
eurjchem-2480	165	4	real	real	ADJ
eurjchem-2480	165	5	phenomenon	phenomenon	NOUN
eurjchem-2480	165	6	of	of	ADP
eurjchem-2480	165	7	zero	zero	NUM
eurjchem-2480	165	8	-	-	PUNCT
eurjchem-2480	165	9	point	point	NOUN
eurjchem-2480	165	10	energy	energy	NOUN
eurjchem-2480	165	11	[	[	X
eurjchem-2480	165	12	20,22	20,22	X
eurjchem-2480	165	13	]	]	X
eurjchem-2480	165	14	for	for	ADP
eurjchem-2480	165	15	neutral	neutral	ADJ
eurjchem-2480	165	16	molecules	molecule	NOUN
eurjchem-2480	165	17	(	(	PUNCT
eurjchem-2480	165	18	n	n	NOUN
eurjchem-2480	165	19	=	=	SYM
eurjchem-2480	165	20	∑a=1	∑a=1	PROPN
eurjchem-2480	165	21	m	m	NOUN
eurjchem-2480	165	22	za	za	PROPN
eurjchem-2480	165	23	and	and	CCONJ
eurjchem-2480	165	24	m	m	PROPN
eurjchem-2480	165	25	>	>	X
eurjchem-2480	165	26	1	1	X
eurjchem-2480	165	27	)	)	PUNCT
eurjchem-2480	165	28	obeys	obey	NOUN
eurjchem-2480	165	29	zpe[hartree	zpe[hartree	NUM
eurjchem-2480	165	30	]	]	X
eurjchem-2480	166	1	≈	≈	PROPN
eurjchem-2480	166	2	0.012	0.012	NUM
eurjchem-2480	166	3	∑a=1	∑a=1	NOUN
eurjchem-2480	166	4	m	m	NOUN
eurjchem-2480	166	5	ma-1/2	ma-1/2	NOUN
eurjchem-2480	166	6	and	and	CCONJ
eurjchem-2480	166	7	0	0	NUM
eurjchem-2480	166	8	<	<	X
eurjchem-2480	166	9	zpe[hartree	zpe[hartree	NUM
eurjchem-2480	166	10	]	]	X
eurjchem-2480	166	11	<	<	X
eurjchem-2480	166	12	0.0036(n-1	0.0036(n-1	PROPN
eurjchem-2480	166	13	)	)	PUNCT
eurjchem-2480	166	14	(	(	PUNCT
eurjchem-2480	166	15	19	19	NUM
eurjchem-2480	166	16	)	)	PUNCT
eurjchem-2480	166	17	equation	equation	NOUN
eurjchem-2480	166	18	19	19	NUM
eurjchem-2480	166	19	is	be	AUX
eurjchem-2480	166	20	a	a	DET
eurjchem-2480	166	21	quasi	quasi	ADJ
eurjchem-2480	166	22	-	-	ADJ
eurjchem-2480	166	23	linear	linear	ADJ
eurjchem-2480	166	24	relationship	relationship	NOUN
eurjchem-2480	166	25	(	(	PUNCT
eurjchem-2480	166	26	regression	regression	NOUN
eurjchem-2480	166	27	99.5	99.5	NUM
eurjchem-2480	166	28	%	%	NOUN
eurjchem-2480	166	29	,	,	PUNCT
eurjchem-2480	166	30	standard	standard	ADJ
eurjchem-2480	166	31	deviation	deviation	NOUN
eurjchem-2480	166	32	3	3	NUM
eurjchem-2480	166	33	kcal	kcal	NOUN
eurjchem-2480	166	34	/	/	SYM
eurjchem-2480	166	35	mole	mole	NOUN
eurjchem-2480	166	36	)	)	PUNCT
eurjchem-2480	166	37	with	with	ADP
eurjchem-2480	166	38	the	the	DET
eurjchem-2480	166	39	sum	sum	NOUN
eurjchem-2480	166	40	of	of	ADP
eurjchem-2480	166	41	the	the	DET
eurjchem-2480	166	42	reciprocal	reciprocal	ADJ
eurjchem-2480	166	43	square	square	ADJ
eurjchem-2480	166	44	root	root	NOUN
eurjchem-2480	166	45	of	of	ADP
eurjchem-2480	166	46	mass	mass	NOUN
eurjchem-2480	166	47	(	(	PUNCT
eurjchem-2480	166	48	in	in	ADP
eurjchem-2480	166	49	a.u	a.u	PROPN
eurjchem-2480	166	50	.	.	PROPN
eurjchem-2480	166	51	in	in	ADP
eurjchem-2480	166	52	the	the	DET
eurjchem-2480	166	53	nuclear	nuclear	ADJ
eurjchem-2480	166	54	frame	frame	NOUN
eurjchem-2480	166	55	)	)	PUNCT
eurjchem-2480	166	56	,	,	PUNCT
eurjchem-2480	166	57	and	and	CCONJ
eurjchem-2480	166	58	it	it	PRON
eurjchem-2480	166	59	visibly	visibly	ADV
eurjchem-2480	166	60	fluctuates	fluctuate	VERB
eurjchem-2480	166	61	with	with	ADP
eurjchem-2480	166	62	n.	n.	NOUN
eurjchem-2480	166	63	(	(	PUNCT
eurjchem-2480	166	64	the	the	DET
eurjchem-2480	166	65	latter	latter	ADJ
eurjchem-2480	166	66	is	be	AUX
eurjchem-2480	166	67	clear	clear	ADJ
eurjchem-2480	166	68	,	,	PUNCT
eurjchem-2480	166	69	e.g.	e.g.	ADV
eurjchem-2480	166	70	,	,	PUNCT
eurjchem-2480	166	71	hcl	hcl	PROPN
eurjchem-2480	166	72	with	with	ADP
eurjchem-2480	166	73	m	m	PROPN
eurjchem-2480	166	74	=	=	SYM
eurjchem-2480	166	75	2	2	NUM
eurjchem-2480	166	76	and	and	CCONJ
eurjchem-2480	166	77	c2h6	c2h6	PROPN
eurjchem-2480	166	78	with	with	ADP
eurjchem-2480	166	79	m	m	PROPN
eurjchem-2480	166	80	=	=	SYM
eurjchem-2480	166	81	8	8	NUM
eurjchem-2480	166	82	,	,	PUNCT
eurjchem-2480	166	83	both	both	PRON
eurjchem-2480	166	84	have	have	VERB
eurjchem-2480	166	85	n	n	NOUN
eurjchem-2480	166	86	=	=	SYM
eurjchem-2480	166	87	18	18	NUM
eurjchem-2480	166	88	electrons	electron	NOUN
eurjchem-2480	166	89	,	,	PUNCT
eurjchem-2480	166	90	while	while	SCONJ
eurjchem-2480	166	91	ethane	ethane	NOUN
eurjchem-2480	166	92	has	have	VERB
eurjchem-2480	166	93	larger	large	ADJ
eurjchem-2480	166	94	degrees	degree	NOUN
eurjchem-2480	166	95	of	of	ADP
eurjchem-2480	166	96	vibrational	vibrational	ADJ
eurjchem-2480	166	97	modes	mode	NOUN
eurjchem-2480	166	98	via	via	ADP
eurjchem-2480	166	99	3m−5	3m−5	NUM
eurjchem-2480	166	100	for	for	ADP
eurjchem-2480	166	101	linear	linear	PROPN
eurjchem-2480	166	102	and	and	CCONJ
eurjchem-2480	166	103	3m−6	3m−6	NUM
eurjchem-2480	166	104	for	for	ADP
eurjchem-2480	166	105	nonlinear	nonlinear	ADJ
eurjchem-2480	166	106	molecules	molecule	NOUN
eurjchem-2480	166	107	.	.	PUNCT
eurjchem-2480	166	108	)	)	PUNCT
eurjchem-2480	167	1	for	for	ADP
eurjchem-2480	167	2	chemically	chemically	ADV
eurjchem-2480	167	3	accurate	accurate	ADJ
eurjchem-2480	167	4	(	(	PUNCT
eurjchem-2480	167	5	1	1	NUM
eurjchem-2480	167	6	kcal	kcal	NOUN
eurjchem-2480	167	7	/	/	SYM
eurjchem-2480	167	8	mol	mol	NOUN
eurjchem-2480	167	9	)	)	PUNCT
eurjchem-2480	167	10	results	result	NOUN
eurjchem-2480	167	11	,	,	PUNCT
eurjchem-2480	167	12	equation	equation	NOUN
eurjchem-2480	167	13	29	29	NUM
eurjchem-2480	167	14	is	be	AUX
eurjchem-2480	167	15	good	good	ADJ
eurjchem-2480	167	16	only	only	ADV
eurjchem-2480	167	17	for	for	ADP
eurjchem-2480	167	18	magnitudes	magnitude	NOUN
eurjchem-2480	167	19	,	,	PUNCT
eurjchem-2480	167	20	but	but	CCONJ
eurjchem-2480	167	21	for	for	ADP
eurjchem-2480	167	22	accurate	accurate	ADJ
eurjchem-2480	167	23	zero	zero	NUM
eurjchem-2480	167	24	-	-	PUNCT
eurjchem-2480	167	25	point	point	NOUN
eurjchem-2480	167	26	energy	energy	NOUN
eurjchem-2480	167	27	(	(	PUNCT
eurjchem-2480	167	28	zpe	zpe	PROPN
eurjchem-2480	167	29	)	)	PUNCT
eurjchem-2480	167	30	,	,	PUNCT
eurjchem-2480	167	31	it	it	PRON
eurjchem-2480	167	32	needs	need	VERB
eurjchem-2480	167	33	an	an	DET
eurjchem-2480	167	34	accurate	accurate	ADJ
eurjchem-2480	167	35	potential	potential	ADJ
eurjchem-2480	167	36	energy	energy	NOUN
eurjchem-2480	167	37	surface	surface	NOUN
eurjchem-2480	167	38	(	(	PUNCT
eurjchem-2480	167	39	including	include	VERB
eurjchem-2480	167	40	cc	cc	X
eurjchem-2480	167	41	if	if	SCONJ
eurjchem-2480	167	42	necessary	necessary	ADJ
eurjchem-2480	167	43	)	)	PUNCT
eurjchem-2480	167	44	and	and	CCONJ
eurjchem-2480	167	45	an	an	DET
eurjchem-2480	167	46	accurate	accurate	ADJ
eurjchem-2480	167	47	frequency	frequency	NOUN
eurjchem-2480	167	48	(	(	PUNCT
eurjchem-2480	167	49	ν	ν	NOUN
eurjchem-2480	167	50	)	)	PUNCT
eurjchem-2480	167	51	calculation	calculation	NOUN
eurjchem-2480	167	52	,	,	PUNCT
eurjchem-2480	167	53	finishing	finish	VERB
eurjchem-2480	167	54	with	with	ADP
eurjchem-2480	167	55	the	the	DET
eurjchem-2480	167	56	correct	correct	ADJ
eurjchem-2480	167	57	equation	equation	NOUN
eurjchem-2480	167	58	,	,	PUNCT
eurjchem-2480	167	59	zpe	zpe	NOUN
eurjchem-2480	167	60	=	=	PUNCT
eurjchem-2480	167	61	½∑13m-6hplancνi	½∑13m-6hplancνi	PROPN
eurjchem-2480	167	62	.	.	NOUN
eurjchem-2480	168	1	for	for	ADP
eurjchem-2480	168	2	a	a	DET
eurjchem-2480	168	3	medium	medium	NOUN
eurjchem-2480	168	4	-	-	PUNCT
eurjchem-2480	168	5	to	to	ADP
eurjchem-2480	168	6	-	-	PUNCT
eurjchem-2480	168	7	large	large	ADJ
eurjchem-2480	168	8	molecule	molecule	NOUN
eurjchem-2480	168	9	490	490	NUM
eurjchem-2480	168	10	sandor	sandor	PROPN
eurjchem-2480	168	11	kristyan	kristyan	PROPN
eurjchem-2480	168	12	/	/	SYM
eurjchem-2480	168	13	european	european	PROPN
eurjchem-2480	168	14	journal	journal	PROPN
eurjchem-2480	168	15	of	of	ADP
eurjchem-2480	168	16	chemistry	chemistry	NOUN
eurjchem-2480	168	17	14	14	NUM
eurjchem-2480	168	18	(	(	PUNCT
eurjchem-2480	168	19	4	4	NUM
eurjchem-2480	168	20	)	)	PUNCT
eurjchem-2480	168	21	(	(	PUNCT
eurjchem-2480	168	22	2023	2023	NUM
eurjchem-2480	168	23	)	)	PUNCT
eurjchem-2480	168	24	486	486	NUM
eurjchem-2480	168	25	-	-	SYM
eurjchem-2480	168	26	493	493	NUM
eurjchem-2480	168	27	2023	2023	NUM
eurjchem-2480	168	28	–	–	PUNCT
eurjchem-2480	168	29	european	european	ADJ
eurjchem-2480	168	30	journal	journal	NOUN
eurjchem-2480	168	31	of	of	ADP
eurjchem-2480	168	32	chemistry	chemistry	NOUN
eurjchem-2480	168	33	–	–	PUNCT
eurjchem-2480	168	34	cc	cc	NOUN
eurjchem-2480	168	35	by	by	ADP
eurjchem-2480	168	36	nc	nc	PROPN
eurjchem-2480	168	37	–	–	PUNCT
eurjchem-2480	168	38	doi	doi	PROPN
eurjchem-2480	168	39	:	:	PUNCT
eurjchem-2480	168	40	10.5155	10.5155	NUM
eurjchem-2480	168	41	/	/	SYM
eurjchem-2480	168	42	eurjchem.14.4.486	eurjchem.14.4.486	NUM
eurjchem-2480	168	43	-	-	PUNCT
eurjchem-2480	168	44	493.2480	493.2480	NOUN
eurjchem-2480	168	45	consisting	consisting	NOUN
eurjchem-2480	168	46	,	,	PUNCT
eurjchem-2480	168	47	e.g.	e.g.	ADV
eurjchem-2480	168	48	,	,	PUNCT
eurjchem-2480	168	49	of	of	ADP
eurjchem-2480	168	50	50	50	NUM
eurjchem-2480	168	51	atoms	atom	NOUN
eurjchem-2480	168	52	(	(	PUNCT
eurjchem-2480	168	53	144	144	NUM
eurjchem-2480	168	54	modes	mode	NOUN
eurjchem-2480	168	55	of	of	ADP
eurjchem-2480	168	56	vibration	vibration	NOUN
eurjchem-2480	168	57	)	)	PUNCT
eurjchem-2480	168	58	,	,	PUNCT
eurjchem-2480	168	59	the	the	DET
eurjchem-2480	168	60	total	total	ADJ
eurjchem-2480	168	61	zero	zero	NUM
eurjchem-2480	168	62	-	-	PUNCT
eurjchem-2480	168	63	point	point	NOUN
eurjchem-2480	168	64	energy	energy	NOUN
eurjchem-2480	168	65	is	be	AUX
eurjchem-2480	168	66	substantial	substantial	ADJ
eurjchem-2480	168	67	.	.	PUNCT
eurjchem-2480	169	1	demonstrating	demonstrate	VERB
eurjchem-2480	169	2	examples	example	NOUN
eurjchem-2480	169	3	for	for	ADP
eurjchem-2480	169	4	equations	equation	NOUN
eurjchem-2480	169	5	18	18	NUM
eurjchem-2480	169	6	and	and	CCONJ
eurjchem-2480	169	7	19	19	NUM
eurjchem-2480	169	8	are	be	AUX
eurjchem-2480	169	9	given	give	VERB
eurjchem-2480	169	10	in	in	ADP
eurjchem-2480	169	11	appendix	appendix	NOUN
eurjchem-2480	169	12	4	4	NUM
eurjchem-2480	169	13	.	.	PUNCT
eurjchem-2480	169	14	as	as	SCONJ
eurjchem-2480	169	15	indicated	indicate	VERB
eurjchem-2480	169	16	in	in	ADP
eurjchem-2480	169	17	the	the	DET
eurjchem-2480	169	18	introduction	introduction	NOUN
eurjchem-2480	169	19	and	and	CCONJ
eurjchem-2480	169	20	reference	reference	NOUN
eurjchem-2480	169	21	[	[	X
eurjchem-2480	169	22	12	12	NUM
eurjchem-2480	169	23	]	]	X
eurjchem-2480	169	24	,	,	PUNCT
eurjchem-2480	169	25	a	a	DET
eurjchem-2480	169	26	very	very	ADV
eurjchem-2480	169	27	powerful	powerful	ADJ
eurjchem-2480	169	28	correlation	correlation	NOUN
eurjchem-2480	169	29	calculation	calculation	NOUN
eurjchem-2480	169	30	has	have	AUX
eurjchem-2480	169	31	been	be	AUX
eurjchem-2480	169	32	reported	report	VERB
eurjchem-2480	169	33	by	by	ADP
eurjchem-2480	169	34	modifying	modify	VERB
eurjchem-2480	169	35	the	the	DET
eurjchem-2480	169	36	coulomb	coulomb	NOUN
eurjchem-2480	169	37	energy	energy	NOUN
eurjchem-2480	169	38	operator	operator	NOUN
eurjchem-2480	169	39	as	as	ADP
eurjchem-2480	169	40	rij-1	rij-1	ADV
eurjchem-2480	169	41	→	→	SYM
eurjchem-2480	169	42	0.99762	0.99762	NUM
eurjchem-2480	169	43	rij-1	rij-1	ADV
eurjchem-2480	169	44	(	(	PUNCT
eurjchem-2480	169	45	lowering	lower	VERB
eurjchem-2480	169	46	the	the	DET
eurjchem-2480	169	47	increment	increment	NOUN
eurjchem-2480	169	48	of	of	ADP
eurjchem-2480	169	49	electron	electron	NOUN
eurjchem-2480	169	50	-	-	PUNCT
eurjchem-2480	169	51	electron	electron	NOUN
eurjchem-2480	169	52	repulsion	repulsion	NOUN
eurjchem-2480	169	53	)	)	PUNCT
eurjchem-2480	169	54	,	,	PUNCT
eurjchem-2480	169	55	resulting	result	VERB
eurjchem-2480	169	56	from	from	ADP
eurjchem-2480	169	57	a	a	DET
eurjchem-2480	169	58	careful	careful	ADJ
eurjchem-2480	169	59	fit	fit	NOUN
eurjchem-2480	169	60	using	use	VERB
eurjchem-2480	169	61	the	the	DET
eurjchem-2480	169	62	sets	set	NOUN
eurjchem-2480	169	63	of	of	ADP
eurjchem-2480	169	64	g2	g2	PROPN
eurjchem-2480	169	65	and	and	CCONJ
eurjchem-2480	169	66	g3	g3	PROPN
eurjchem-2480	169	67	molecules	molecule	NOUN
eurjchem-2480	169	68	[	[	X
eurjchem-2480	169	69	23	23	NUM
eurjchem-2480	169	70	]	]	PUNCT
eurjchem-2480	169	71	.	.	PUNCT
eurjchem-2480	170	1	its	its	PRON
eurjchem-2480	170	2	additional	additional	ADJ
eurjchem-2480	170	3	advantage	advantage	NOUN
eurjchem-2480	170	4	is	be	AUX
eurjchem-2480	170	5	that	that	SCONJ
eurjchem-2480	170	6	existing	exist	VERB
eurjchem-2480	170	7	hf	hf	ADJ
eurjchem-2480	170	8	-	-	PUNCT
eurjchem-2480	170	9	scf	scf	NOUN
eurjchem-2480	170	10	routines	routine	NOUN
eurjchem-2480	170	11	need	need	VERB
eurjchem-2480	170	12	modifications	modification	NOUN
eurjchem-2480	170	13	only	only	ADV
eurjchem-2480	170	14	in	in	ADP
eurjchem-2480	170	15	a	a	DET
eurjchem-2480	170	16	few	few	ADJ
eurjchem-2480	170	17	program	program	NOUN
eurjchem-2480	170	18	lines	line	NOUN
eurjchem-2480	170	19	.	.	PUNCT
eurjchem-2480	171	1	algebraically	algebraically	ADV
eurjchem-2480	171	2	,	,	PUNCT
eurjchem-2480	171	3	this	this	DET
eurjchem-2480	171	4	modification	modification	NOUN
eurjchem-2480	171	5	is	be	AUX
eurjchem-2480	171	6	more	more	ADJ
eurjchem-2480	171	7	of	of	ADP
eurjchem-2480	171	8	a	a	DET
eurjchem-2480	171	9	tuning	tuning	NOUN
eurjchem-2480	171	10	of	of	ADP
eurjchem-2480	171	11	the	the	DET
eurjchem-2480	171	12	slater	slater	NOUN
eurjchem-2480	171	13	determinant	determinant	ADJ
eurjchem-2480	171	14	wave	wave	NOUN
eurjchem-2480	171	15	function	function	NOUN
eurjchem-2480	171	16	than	than	ADP
eurjchem-2480	171	17	of	of	ADP
eurjchem-2480	171	18	a	a	DET
eurjchem-2480	171	19	modification	modification	NOUN
eurjchem-2480	171	20	of	of	ADP
eurjchem-2480	171	21	the	the	DET
eurjchem-2480	171	22	coulomb	coulomb	NOUN
eurjchem-2480	171	23	energy	energy	NOUN
eurjchem-2480	171	24	operator	operator	NOUN
eurjchem-2480	171	25	.	.	PUNCT
eurjchem-2480	172	1	besides	besides	SCONJ
eurjchem-2480	172	2	many	many	ADJ
eurjchem-2480	172	3	devices	device	NOUN
eurjchem-2480	172	4	[	[	X
eurjchem-2480	172	5	1,2,5,12	1,2,5,12	NOUN
eurjchem-2480	172	6	]	]	PUNCT
eurjchem-2480	172	7	,	,	PUNCT
eurjchem-2480	172	8	a	a	DET
eurjchem-2480	172	9	powerful	powerful	ADJ
eurjchem-2480	172	10	empirical	empirical	ADJ
eurjchem-2480	172	11	correction	correction	NOUN
eurjchem-2480	172	12	in	in	ADP
eurjchem-2480	172	13	cc	cc	PROPN
eurjchem-2480	172	14	is	be	AUX
eurjchem-2480	172	15	the	the	DET
eurjchem-2480	172	16	modification	modification	NOUN
eurjchem-2480	172	17	in	in	ADP
eurjchem-2480	172	18	the	the	DET
eurjchem-2480	172	19	approximation	approximation	NOUN
eurjchem-2480	172	20	of	of	ADP
eurjchem-2480	172	21	vee	vee	PROPN
eurjchem-2480	172	22	and	and	CCONJ
eurjchem-2480	172	23	vne	vne	PROPN
eurjchem-2480	172	24	in	in	ADP
eurjchem-2480	172	25	equation	equation	NOUN
eurjchem-2480	172	26	21	21	NUM
eurjchem-2480	172	27	as	as	ADP
eurjchem-2480	172	28	r12	r12	NOUN
eurjchem-2480	172	29	-	-	SYM
eurjchem-2480	172	30	1	1	NUM
eurjchem-2480	172	31	→	→	SYM
eurjchem-2480	172	32	r12	r12	NUM
eurjchem-2480	172	33	-	-	PUNCT
eurjchem-2480	172	34	n	n	NOUN
eurjchem-2480	172	35	and	and	CCONJ
eurjchem-2480	172	36	rc1	rc1	NOUN
eurjchem-2480	172	37	-	-	PUNCT
eurjchem-2480	172	38	1	1	NUM
eurjchem-2480	172	39	→	→	SYM
eurjchem-2480	172	40	rc1	rc1	NOUN
eurjchem-2480	172	41	-	-	PUNCT
eurjchem-2480	172	42	n	n	CCONJ
eurjchem-2480	172	43	,	,	PUNCT
eurjchem-2480	172	44	respecttively	respecttively	ADV
eurjchem-2480	172	45	,	,	PUNCT
eurjchem-2480	172	46	with	with	ADP
eurjchem-2480	172	47	n	n	NOUN
eurjchem-2480	172	48	=	=	SYM
eurjchem-2480	172	49	1+ε	1+ε	NUM
eurjchem-2480	172	50	for	for	ADP
eurjchem-2480	172	51	electronic	electronic	ADJ
eurjchem-2480	172	52	potential	potential	ADJ
eurjchem-2480	172	53	energy	energy	NOUN
eurjchem-2480	172	54	correction	correction	NOUN
eurjchem-2480	172	55	during	during	ADP
eurjchem-2480	172	56	or	or	CCONJ
eurjchem-2480	172	57	after	after	ADV
eurjchem-2480	172	58	,	,	PUNCT
eurjchem-2480	172	59	e.g.	e.g.	ADV
eurjchem-2480	172	60	,	,	PUNCT
eurjchem-2480	172	61	an	an	DET
eurjchem-2480	172	62	hf	hf	PROPN
eurjchem-2480	172	63	-	-	PUNCT
eurjchem-2480	172	64	scf	scf	NOUN
eurjchem-2480	172	65	/	/	SYM
eurjchem-2480	172	66	basis	basis	NOUN
eurjchem-2480	172	67	calculation	calculation	NOUN
eurjchem-2480	172	68	with	with	ADP
eurjchem-2480	172	69	a	a	DET
eurjchem-2480	172	70	small	small	ADJ
eurjchem-2480	172	71	fitted	fit	VERB
eurjchem-2480	172	72	value	value	NOUN
eurjchem-2480	172	73	ε	ε	PROPN
eurjchem-2480	172	74	.	.	PUNCT
eurjchem-2480	173	1	for	for	ADP
eurjchem-2480	173	2	example	example	NOUN
eurjchem-2480	173	3	,	,	PUNCT
eurjchem-2480	173	4	the	the	DET
eurjchem-2480	173	5	sets	set	NOUN
eurjchem-2480	173	6	of	of	ADP
eurjchem-2480	173	7	g2	g2	PROPN
eurjchem-2480	173	8	and	and	CCONJ
eurjchem-2480	173	9	g3	g3	PROPN
eurjchem-2480	173	10	molecules	molecule	NOUN
eurjchem-2480	173	11	[	[	X
eurjchem-2480	173	12	23	23	NUM
eurjchem-2480	173	13	]	]	PUNCT
eurjchem-2480	173	14	and	and	CCONJ
eurjchem-2480	173	15	the	the	DET
eurjchem-2480	173	16	atomic	atomic	ADJ
eurjchem-2480	173	17	energies	energy	NOUN
eurjchem-2480	173	18	of	of	ADP
eurjchem-2480	173	19	ci	ci	NOUN
eurjchem-2480	174	1	[	[	X
eurjchem-2480	174	2	24	24	NUM
eurjchem-2480	174	3	]	]	PUNCT
eurjchem-2480	174	4	can	can	AUX
eurjchem-2480	174	5	be	be	AUX
eurjchem-2480	174	6	used	use	VERB
eurjchem-2480	174	7	in	in	ADP
eurjchem-2480	174	8	this	this	DET
eurjchem-2480	174	9	fit	fit	NOUN
eurjchem-2480	174	10	;	;	PUNCT
eurjchem-2480	174	11	they	they	PRON
eurjchem-2480	174	12	will	will	AUX
eurjchem-2480	174	13	be	be	AUX
eurjchem-2480	174	14	reported	report	VERB
eurjchem-2480	174	15	in	in	ADP
eurjchem-2480	174	16	other	other	ADJ
eurjchem-2480	174	17	works	work	NOUN
eurjchem-2480	174	18	.	.	PUNCT
eurjchem-2480	175	1	the	the	DET
eurjchem-2480	175	2	textbook	textbook	NOUN
eurjchem-2480	175	3	fact	fact	NOUN
eurjchem-2480	175	4	is	be	AUX
eurjchem-2480	175	5	that	that	SCONJ
eurjchem-2480	175	6	the	the	DET
eurjchem-2480	175	7	kinetic	kinetic	ADJ
eurjchem-2480	175	8	energy	energy	NOUN
eurjchem-2480	175	9	operator	operator	NOUN
eurjchem-2480	175	10	in	in	ADP
eurjchem-2480	175	11	quantum	quantum	ADJ
eurjchem-2480	175	12	mechanics	mechanic	NOUN
eurjchem-2480	175	13	,	,	PUNCT
eurjchem-2480	175	14	t	t	PROPN
eurjchem-2480	175	15	,	,	PUNCT
eurjchem-2480	175	16	is	be	AUX
eurjchem-2480	175	17	constructed	construct	VERB
eurjchem-2480	175	18	from	from	ADP
eurjchem-2480	175	19	the	the	DET
eurjchem-2480	175	20	kinetic	kinetic	ADJ
eurjchem-2480	175	21	energy	energy	NOUN
eurjchem-2480	175	22	in	in	ADP
eurjchem-2480	175	23	classical	classical	ADJ
eurjchem-2480	175	24	physics	physics	NOUN
eurjchem-2480	175	25	(	(	PUNCT
eurjchem-2480	175	26	t	t	NOUN
eurjchem-2480	175	27	=	=	PUNCT
eurjchem-2480	175	28	½p2	½p2	NOUN
eurjchem-2480	175	29	/	/	SYM
eurjchem-2480	175	30	m	m	VERB
eurjchem-2480	175	31	)	)	PUNCT
eurjchem-2480	175	32	by	by	ADP
eurjchem-2480	175	33	transforming	transform	VERB
eurjchem-2480	175	34	it	it	PRON
eurjchem-2480	175	35	into	into	ADP
eurjchem-2480	175	36	the	the	DET
eurjchem-2480	175	37	differential	differential	ADJ
eurjchem-2480	175	38	operator	operator	NOUN
eurjchem-2480	175	39	-½∇2	-½∇2	PROPN
eurjchem-2480	175	40	.	.	PUNCT
eurjchem-2480	176	1	however	however	ADV
eurjchem-2480	176	2	,	,	PUNCT
eurjchem-2480	176	3	the	the	DET
eurjchem-2480	176	4	operator	operator	NOUN
eurjchem-2480	176	5	for	for	ADP
eurjchem-2480	176	6	the	the	DET
eurjchem-2480	176	7	coulomb	coulomb	NOUN
eurjchem-2480	176	8	potential	potential	ADJ
eurjchem-2480	176	9	energy	energy	NOUN
eurjchem-2480	176	10	of	of	ADP
eurjchem-2480	176	11	two	two	NUM
eurjchem-2480	176	12	charged	charge	VERB
eurjchem-2480	176	13	particles	particle	NOUN
eurjchem-2480	176	14	(	(	PUNCT
eurjchem-2480	176	15	between	between	ADP
eurjchem-2480	176	16	macroscopic	macroscopic	ADJ
eurjchem-2480	176	17	objects	object	NOUN
eurjchem-2480	176	18	or	or	CCONJ
eurjchem-2480	176	19	between	between	ADP
eurjchem-2480	176	20	microscopic	microscopic	ADJ
eurjchem-2480	176	21	electrons	electron	NOUN
eurjchem-2480	176	22	,	,	PUNCT
eurjchem-2480	176	23	protons	proton	NOUN
eurjchem-2480	176	24	,	,	PUNCT
eurjchem-2480	176	25	or	or	CCONJ
eurjchem-2480	176	26	nuclei	nucleus	NOUN
eurjchem-2480	176	27	)	)	PUNCT
eurjchem-2480	176	28	is	be	AUX
eurjchem-2480	176	29	the	the	DET
eurjchem-2480	176	30	multiplicative	multiplicative	ADJ
eurjchem-2480	176	31	operator	operator	NOUN
eurjchem-2480	176	32	r12	r12	NOUN
eurjchem-2480	176	33	-	-	PUNCT
eurjchem-2480	176	34	1	1	NUM
eurjchem-2480	176	35	or	or	CCONJ
eurjchem-2480	176	36	-ra1	-ra1	NUM
eurjchem-2480	176	37	-	-	PUNCT
eurjchem-2480	176	38	1	1	NUM
eurjchem-2480	176	39	,	,	PUNCT
eurjchem-2480	176	40	i.e.	i.e.	X
eurjchem-2480	176	41	,	,	PUNCT
eurjchem-2480	176	42	the	the	DET
eurjchem-2480	176	43	same	same	ADJ
eurjchem-2480	176	44	algebraic	algebraic	ADJ
eurjchem-2480	176	45	form	form	NOUN
eurjchem-2480	176	46	(	(	PUNCT
eurjchem-2480	176	47	reciprocal	reciprocal	ADJ
eurjchem-2480	176	48	distance	distance	NOUN
eurjchem-2480	176	49	)	)	PUNCT
eurjchem-2480	176	50	holds	hold	VERB
eurjchem-2480	176	51	in	in	ADP
eurjchem-2480	176	52	classical	classical	ADJ
eurjchem-2480	176	53	and	and	CCONJ
eurjchem-2480	176	54	quantum	quantum	ADJ
eurjchem-2480	176	55	physics	physics	NOUN
eurjchem-2480	176	56	.	.	PUNCT
eurjchem-2480	177	1	just	just	ADV
eurjchem-2480	177	2	as	as	SCONJ
eurjchem-2480	177	3	we	we	PRON
eurjchem-2480	177	4	were	be	AUX
eurjchem-2480	177	5	surprised	surprised	ADJ
eurjchem-2480	177	6	that	that	SCONJ
eurjchem-2480	177	7	the	the	DET
eurjchem-2480	177	8	kinetic	kinetic	ADJ
eurjchem-2480	177	9	energy	energy	NOUN
eurjchem-2480	177	10	operator	operator	NOUN
eurjchem-2480	177	11	at	at	ADP
eurjchem-2480	177	12	the	the	DET
eurjchem-2480	177	13	birth	birth	NOUN
eurjchem-2480	177	14	of	of	ADP
eurjchem-2480	177	15	quantum	quantum	ADJ
eurjchem-2480	177	16	mechanics	mechanic	NOUN
eurjchem-2480	177	17	,	,	PUNCT
eurjchem-2480	177	18	circa	circa	NOUN
eurjchem-2480	177	19	1925	1925	NUM
eurjchem-2480	177	20	,	,	PUNCT
eurjchem-2480	177	21	was	be	AUX
eurjchem-2480	177	22	different	different	ADJ
eurjchem-2480	177	23	from	from	ADP
eurjchem-2480	177	24	classical	classical	ADJ
eurjchem-2480	177	25	mechanics	mechanic	NOUN
eurjchem-2480	177	26	,	,	PUNCT
eurjchem-2480	177	27	we	we	PRON
eurjchem-2480	177	28	should	should	AUX
eurjchem-2480	177	29	have	have	AUX
eurjchem-2480	177	30	been	be	AUX
eurjchem-2480	177	31	surprised	surprise	VERB
eurjchem-2480	177	32	thereafter	thereafter	ADV
eurjchem-2480	177	33	(	(	PUNCT
eurjchem-2480	177	34	in	in	ADP
eurjchem-2480	177	35	the	the	DET
eurjchem-2480	177	36	author	author	NOUN
eurjchem-2480	177	37	’s	’s	PART
eurjchem-2480	177	38	opinion	opinion	NOUN
eurjchem-2480	177	39	)	)	PUNCT
eurjchem-2480	177	40	that	that	SCONJ
eurjchem-2480	177	41	the	the	DET
eurjchem-2480	177	42	potential	potential	ADJ
eurjchem-2480	177	43	energy	energy	NOUN
eurjchem-2480	177	44	operator	operator	NOUN
eurjchem-2480	177	45	is	be	AUX
eurjchem-2480	177	46	,	,	PUNCT
eurjchem-2480	177	47	however	however	ADV
eurjchem-2480	177	48	,	,	PUNCT
eurjchem-2480	177	49	the	the	DET
eurjchem-2480	177	50	same	same	ADJ
eurjchem-2480	177	51	.	.	PUNCT
eurjchem-2480	178	1	in	in	ADP
eurjchem-2480	178	2	the	the	DET
eurjchem-2480	178	3	calculation	calculation	NOUN
eurjchem-2480	178	4	of	of	ADP
eurjchem-2480	178	5	the	the	DET
eurjchem-2480	178	6	quantum	quantum	ADJ
eurjchem-2480	178	7	scale	scale	NOUN
eurjchem-2480	178	8	,	,	PUNCT
eurjchem-2480	178	9	we	we	PRON
eurjchem-2480	178	10	also	also	ADV
eurjchem-2480	178	11	call	call	VERB
eurjchem-2480	178	12	newton	newton	PROPN
eurjchem-2480	178	13	’s	’s	PART
eurjchem-2480	178	14	universal	universal	ADJ
eurjchem-2480	178	15	law	law	NOUN
eurjchem-2480	178	16	of	of	ADP
eurjchem-2480	178	17	gravity	gravity	NOUN
eurjchem-2480	178	18	for	for	ADP
eurjchem-2480	178	19	the	the	DET
eurjchem-2480	178	20	force	force	NOUN
eurjchem-2480	178	21	between	between	ADP
eurjchem-2480	178	22	macroscopic	macroscopic	ADJ
eurjchem-2480	178	23	objects	object	NOUN
eurjchem-2480	178	24	m1	m1	PROPN
eurjchem-2480	178	25	m2	m2	PROPN
eurjchem-2480	178	26	/	/	SYM
eurjchem-2480	178	27	r2	r2	PROPN
eurjchem-2480	178	28	,	,	PUNCT
eurjchem-2480	178	29	in	in	ADP
eurjchem-2480	178	30	which	which	PRON
eurjchem-2480	178	31	the	the	DET
eurjchem-2480	178	32	mechanical	mechanical	ADJ
eurjchem-2480	178	33	potential	potential	ADJ
eurjchem-2480	178	34	energy	energy	NOUN
eurjchem-2480	178	35	is	be	AUX
eurjchem-2480	178	36	m1	m1	PROPN
eurjchem-2480	178	37	m2	m2	PROPN
eurjchem-2480	178	38	/	/	SYM
eurjchem-2480	178	39	r.	r.	PROPN
eurjchem-2480	178	40	on	on	ADP
eurjchem-2480	178	41	a	a	DET
eurjchem-2480	178	42	cosmological	cosmological	ADJ
eurjchem-2480	178	43	scale	scale	NOUN
eurjchem-2480	178	44	,	,	PUNCT
eurjchem-2480	178	45	where	where	SCONJ
eurjchem-2480	178	46	many	many	ADJ
eurjchem-2480	178	47	large	large	ADJ
eurjchem-2480	178	48	bodies	body	NOUN
eurjchem-2480	178	49	participate	participate	VERB
eurjchem-2480	178	50	in	in	ADP
eurjchem-2480	178	51	the	the	DET
eurjchem-2480	178	52	universe	universe	NOUN
eurjchem-2480	178	53	,	,	PUNCT
eurjchem-2480	178	54	to	to	PART
eurjchem-2480	178	55	interpret	interpret	VERB
eurjchem-2480	178	56	the	the	DET
eurjchem-2480	178	57	yet	yet	ADV
eurjchem-2480	178	58	unexplained	unexplained	ADJ
eurjchem-2480	178	59	measurements	measurement	NOUN
eurjchem-2480	178	60	that	that	PRON
eurjchem-2480	178	61	force	force	VERB
eurjchem-2480	178	62	us	we	PRON
eurjchem-2480	178	63	to	to	PART
eurjchem-2480	178	64	suppose	suppose	VERB
eurjchem-2480	178	65	the	the	DET
eurjchem-2480	178	66	existence	existence	NOUN
eurjchem-2480	178	67	of	of	ADP
eurjchem-2480	178	68	dark	dark	ADJ
eurjchem-2480	178	69	matter	matter	NOUN
eurjchem-2480	178	70	and	and	CCONJ
eurjchem-2480	178	71	energy	energy	NOUN
eurjchem-2480	178	72	,	,	PUNCT
eurjchem-2480	178	73	this	this	DET
eurjchem-2480	178	74	law	law	NOUN
eurjchem-2480	178	75	has	have	AUX
eurjchem-2480	178	76	been	be	AUX
eurjchem-2480	178	77	empirically	empirically	ADV
eurjchem-2480	178	78	corrected	correct	VERB
eurjchem-2480	178	79	to	to	PART
eurjchem-2480	178	80	resolve	resolve	VERB
eurjchem-2480	178	81	this	this	DET
eurjchem-2480	178	82	issue	issue	NOUN
eurjchem-2480	178	83	as	as	ADP
eurjchem-2480	178	84	m1	m1	PROPN
eurjchem-2480	178	85	m2	m2	PROPN
eurjchem-2480	178	86	/	/	SYM
eurjchem-2480	178	87	rm	rm	PROPN
eurjchem-2480	178	88	with	with	ADP
eurjchem-2480	178	89	m	m	PROPN
eurjchem-2480	178	90	=	=	SYM
eurjchem-2480	178	91	2+ζ	2+ζ	PROPN
eurjchem-2480	178	92	,	,	PUNCT
eurjchem-2480	178	93	where	where	SCONJ
eurjchem-2480	178	94	is	be	AUX
eurjchem-2480	178	95	a	a	DET
eurjchem-2480	178	96	small	small	ADJ
eurjchem-2480	178	97	fitted	fit	VERB
eurjchem-2480	178	98	value	value	NOUN
eurjchem-2480	178	99	.	.	PUNCT
eurjchem-2480	179	1	empirically	empirically	ADV
eurjchem-2480	179	2	,	,	PUNCT
eurjchem-2480	179	3	it	it	PRON
eurjchem-2480	179	4	provides	provide	VERB
eurjchem-2480	179	5	very	very	ADV
eurjchem-2480	179	6	simple	simple	ADJ
eurjchem-2480	179	7	and	and	CCONJ
eurjchem-2480	179	8	remarkable	remarkable	ADJ
eurjchem-2480	179	9	results	result	NOUN
eurjchem-2480	179	10	to	to	PART
eurjchem-2480	179	11	explain	explain	VERB
eurjchem-2480	179	12	the	the	DET
eurjchem-2480	179	13	discrepancies	discrepancy	NOUN
eurjchem-2480	179	14	in	in	ADP
eurjchem-2480	179	15	cosmological	cosmological	ADJ
eurjchem-2480	179	16	measurements	measurement	NOUN
eurjchem-2480	179	17	in	in	ADP
eurjchem-2480	179	18	relation	relation	NOUN
eurjchem-2480	179	19	to	to	ADP
eurjchem-2480	179	20	dark	dark	ADJ
eurjchem-2480	179	21	matter	matter	NOUN
eurjchem-2480	179	22	and	and	CCONJ
eurjchem-2480	179	23	energy	energy	NOUN
eurjchem-2480	179	24	.	.	PUNCT
eurjchem-2480	180	1	it	it	PRON
eurjchem-2480	180	2	originates	originate	VERB
eurjchem-2480	180	3	from	from	ADP
eurjchem-2480	180	4	milgrom	milgrom	PROPN
eurjchem-2480	180	5	’s	’s	PART
eurjchem-2480	180	6	(	(	PUNCT
eurjchem-2480	180	7	1983	1983	NUM
eurjchem-2480	180	8	)	)	PUNCT
eurjchem-2480	181	1	[	[	X
eurjchem-2480	181	2	28	28	NUM
eurjchem-2480	181	3	]	]	PUNCT
eurjchem-2480	181	4	claim	claim	NOUN
eurjchem-2480	181	5	that	that	SCONJ
eurjchem-2480	181	6	if	if	SCONJ
eurjchem-2480	181	7	the	the	DET
eurjchem-2480	181	8	gravitational	gravitational	ADJ
eurjchem-2480	181	9	force	force	NOUN
eurjchem-2480	181	10	came	come	VERB
eurjchem-2480	181	11	to	to	PART
eurjchem-2480	181	12	vary	vary	VERB
eurjchem-2480	181	13	inversely	inversely	ADV
eurjchem-2480	181	14	linearly	linearly	ADV
eurjchem-2480	181	15	with	with	ADP
eurjchem-2480	181	16	the	the	DET
eurjchem-2480	181	17	radius	radius	NOUN
eurjchem-2480	181	18	(	(	PUNCT
eurjchem-2480	181	19	as	as	SCONJ
eurjchem-2480	181	20	opposed	oppose	VERB
eurjchem-2480	181	21	to	to	ADP
eurjchem-2480	181	22	the	the	DET
eurjchem-2480	181	23	inverse	inverse	NOUN
eurjchem-2480	181	24	square	square	NOUN
eurjchem-2480	181	25	of	of	ADP
eurjchem-2480	181	26	the	the	DET
eurjchem-2480	181	27	radius	radius	NOUN
eurjchem-2480	181	28	,	,	PUNCT
eurjchem-2480	181	29	as	as	ADP
eurjchem-2480	181	30	in	in	ADP
eurjchem-2480	181	31	newton	newton	PROPN
eurjchem-2480	181	32	's	's	PART
eurjchem-2480	181	33	law	law	NOUN
eurjchem-2480	181	34	of	of	ADP
eurjchem-2480	181	35	gravity	gravity	NOUN
eurjchem-2480	181	36	)	)	PUNCT
eurjchem-2480	181	37	,	,	PUNCT
eurjchem-2480	181	38	the	the	DET
eurjchem-2480	181	39	dark	dark	ADJ
eurjchem-2480	181	40	matter	matter	NOUN
eurjchem-2480	181	41	and	and	CCONJ
eurjchem-2480	181	42	energy	energy	NOUN
eurjchem-2480	181	43	could	could	AUX
eurjchem-2480	181	44	be	be	AUX
eurjchem-2480	181	45	explained	explain	VERB
eurjchem-2480	181	46	.	.	PUNCT
eurjchem-2480	182	1	it	it	PRON
eurjchem-2480	182	2	is	be	AUX
eurjchem-2480	182	3	important	important	ADJ
eurjchem-2480	182	4	to	to	PART
eurjchem-2480	182	5	mention	mention	VERB
eurjchem-2480	182	6	that	that	SCONJ
eurjchem-2480	182	7	there	there	PRON
eurjchem-2480	182	8	are	be	VERB
eurjchem-2480	182	9	strong	strong	ADJ
eurjchem-2480	182	10	doubts	doubt	NOUN
eurjchem-2480	182	11	in	in	ADP
eurjchem-2480	182	12	the	the	DET
eurjchem-2480	182	13	scientific	scientific	ADJ
eurjchem-2480	182	14	community	community	NOUN
eurjchem-2480	182	15	about	about	ADP
eurjchem-2480	182	16	this	this	DET
eurjchem-2480	182	17	correction	correction	NOUN
eurjchem-2480	182	18	with	with	ADP
eurjchem-2480	182	19	ζ	ζ	NOUN
eurjchem-2480	182	20	as	as	ADP
eurjchem-2480	182	21	a	a	DET
eurjchem-2480	182	22	plausible	plausible	ADJ
eurjchem-2480	182	23	physical	physical	ADJ
eurjchem-2480	182	24	explanation	explanation	NOUN
eurjchem-2480	182	25	,	,	PUNCT
eurjchem-2480	182	26	even	even	ADV
eurjchem-2480	182	27	though	though	SCONJ
eurjchem-2480	182	28	it	it	PRON
eurjchem-2480	182	29	empirically	empirically	ADV
eurjchem-2480	182	30	works	work	VERB
eurjchem-2480	182	31	.	.	PUNCT
eurjchem-2480	183	1	however	however	ADV
eurjchem-2480	183	2	,	,	PUNCT
eurjchem-2480	183	3	the	the	DET
eurjchem-2480	183	4	semiempirical	semiempirical	ADJ
eurjchem-2480	183	5	cc	cc	PROPN
eurjchem-2480	183	6	(	(	PUNCT
eurjchem-2480	183	7	based	base	VERB
eurjchem-2480	183	8	on	on	ADP
eurjchem-2480	183	9	physical	physical	ADJ
eurjchem-2480	183	10	considerations	consideration	NOUN
eurjchem-2480	183	11	and	and	CCONJ
eurjchem-2480	183	12	improved	improve	VERB
eurjchem-2480	183	13	with	with	ADP
eurjchem-2480	183	14	some	some	DET
eurjchem-2480	183	15	empirical	empirical	ADJ
eurjchem-2480	183	16	parameters	parameter	NOUN
eurjchem-2480	183	17	)	)	PUNCT
eurjchem-2480	183	18	at	at	ADP
eurjchem-2480	183	19	the	the	DET
eurjchem-2480	183	20	quantum	quantum	ADJ
eurjchem-2480	183	21	scale	scale	NOUN
eurjchem-2480	183	22	is	be	AUX
eurjchem-2480	183	23	totally	totally	ADV
eurjchem-2480	183	24	accepted	accept	VERB
eurjchem-2480	183	25	in	in	ADP
eurjchem-2480	183	26	the	the	DET
eurjchem-2480	183	27	scientific	scientific	ADJ
eurjchem-2480	183	28	community	community	NOUN
eurjchem-2480	183	29	.	.	PUNCT
eurjchem-2480	184	1	this	this	DET
eurjchem-2480	184	2	modified	modify	VERB
eurjchem-2480	184	3	approximation	approximation	NOUN
eurjchem-2480	184	4	just	just	ADV
eurjchem-2480	184	5	mentioned	mention	VERB
eurjchem-2480	184	6	for	for	ADP
eurjchem-2480	184	7	vee	vee	PROPN
eurjchem-2480	184	8	and	and	CCONJ
eurjchem-2480	184	9	vne	vne	PROPN
eurjchem-2480	184	10	in	in	ADP
eurjchem-2480	184	11	equation	equation	NOUN
eurjchem-2480	184	12	21	21	NUM
eurjchem-2480	184	13	using	use	VERB
eurjchem-2480	184	14	r12	r12	NOUN
eurjchem-2480	184	15	-	-	PUNCT
eurjchem-2480	184	16	n	n	NOUN
eurjchem-2480	184	17	and	and	CCONJ
eurjchem-2480	184	18	rc1	rc1	NOUN
eurjchem-2480	184	19	-	-	PUNCT
eurjchem-2480	184	20	n	n	NOUN
eurjchem-2480	184	21	from	from	ADP
eurjchem-2480	184	22	equation	equation	NOUN
eurjchem-2480	184	23	2	2	NUM
eurjchem-2480	184	24	,	,	PUNCT
eurjchem-2480	184	25	respectively	respectively	ADV
eurjchem-2480	184	26	,	,	PUNCT
eurjchem-2480	184	27	is	be	AUX
eurjchem-2480	184	28	a	a	DET
eurjchem-2480	184	29	powerful	powerful	ADJ
eurjchem-2480	184	30	tuning	tuning	NOUN
eurjchem-2480	184	31	device	device	NOUN
eurjchem-2480	184	32	to	to	PART
eurjchem-2480	184	33	include	include	VERB
eurjchem-2480	184	34	correlation	correlation	NOUN
eurjchem-2480	184	35	effects	effect	NOUN
eurjchem-2480	184	36	during	during	ADP
eurjchem-2480	184	37	a	a	DET
eurjchem-2480	184	38	cqc	cqc	PROPN
eurjchem-2480	184	39	algorithm	algorithm	NOUN
eurjchem-2480	184	40	via	via	ADP
eurjchem-2480	184	41	n	n	CCONJ
eurjchem-2480	184	42	around	around	ADV
eurjchem-2480	184	43	1	1	NUM
eurjchem-2480	184	44	.	.	PUNCT
eurjchem-2480	185	1	the	the	DET
eurjchem-2480	185	2	n	n	NOUN
eurjchem-2480	185	3	=	=	SYM
eurjchem-2480	185	4	1	1	NUM
eurjchem-2480	185	5	is	be	AUX
eurjchem-2480	185	6	the	the	DET
eurjchem-2480	185	7	theoretical	theoretical	ADJ
eurjchem-2480	185	8	power	power	NOUN
eurjchem-2480	185	9	of	of	ADP
eurjchem-2480	185	10	the	the	DET
eurjchem-2480	185	11	coulomb	coulomb	NOUN
eurjchem-2480	185	12	energy	energy	NOUN
eurjchem-2480	185	13	operators	operator	NOUN
eurjchem-2480	185	14	(	(	PUNCT
eurjchem-2480	185	15	see	see	VERB
eurjchem-2480	185	16	equations	equation	NOUN
eurjchem-2480	185	17	2	2	NUM
eurjchem-2480	185	18	and	and	CCONJ
eurjchem-2480	185	19	21	21	NUM
eurjchem-2480	185	20	)	)	PUNCT
eurjchem-2480	185	21	.	.	PUNCT
eurjchem-2480	186	1	only	only	ADV
eurjchem-2480	186	2	a	a	DET
eurjchem-2480	186	3	simple	simple	ADJ
eurjchem-2480	186	4	example	example	NOUN
eurjchem-2480	186	5	is	be	AUX
eurjchem-2480	186	6	given	give	VERB
eurjchem-2480	186	7	next	next	ADV
eurjchem-2480	186	8	for	for	ADP
eurjchem-2480	186	9	demonstration	demonstration	NOUN
eurjchem-2480	186	10	.	.	PUNCT
eurjchem-2480	187	1	with	with	ADP
eurjchem-2480	187	2	a	a	DET
eurjchem-2480	187	3	hydrogen	hydrogen	NOUN
eurjchem-2480	187	4	atom	atom	NOUN
eurjchem-2480	187	5	accurate	accurate	ADJ
eurjchem-2480	187	6	1s	1s	NUM
eurjchem-2480	187	7	orbital	orbital	ADJ
eurjchem-2480	187	8	fi	fi	NOUN
eurjchem-2480	187	9	=	=	SYM
eurjchem-2480	187	10	exp(-ri	exp(-ri	NOUN
eurjchem-2480	187	11	)	)	PUNCT
eurjchem-2480	187	12	,	,	PUNCT
eurjchem-2480	187	13	the	the	DET
eurjchem-2480	187	14	energy	energy	NOUN
eurjchem-2480	187	15	integral	integral	ADJ
eurjchem-2480	187	16	<	<	X
eurjchem-2480	187	17	f1f2|r12	f1f2|r12	NOUN
eurjchem-2480	187	18	-	-	PUNCT
eurjchem-2480	187	19	nf1f2	nf1f2	PROPN
eurjchem-2480	187	20	>	>	X
eurjchem-2480	187	21	/	/	SYM
eurjchem-2480	187	22	<	<	X
eurjchem-2480	187	23	f1f2|f1f2	f1f2|f1f2	X
eurjchem-2480	187	24	>	>	X
eurjchem-2480	187	25	=	=	PUNCT
eurjchem-2480	187	26	<	<	X
eurjchem-2480	187	27	f1f2|r12nf1f2)>/π2	f1f2|r12nf1f2)>/π2	NOUN
eurjchem-2480	187	28	with	with	ADP
eurjchem-2480	187	29	the	the	DET
eurjchem-2480	187	30	n	n	NOUN
eurjchem-2480	187	31	=	=	SYM
eurjchem-2480	187	32	0.9	0.9	NUM
eurjchem-2480	187	33	,	,	PUNCT
eurjchem-2480	187	34	1	1	NUM
eurjchem-2480	187	35	and	and	CCONJ
eurjchem-2480	187	36	1.1	1.1	NUM
eurjchem-2480	187	37	yields	yield	NOUN
eurjchem-2480	187	38	0.647791	0.647791	NUM
eurjchem-2480	187	39	,	,	PUNCT
eurjchem-2480	187	40	0.632432	0.632432	NUM
eurjchem-2480	187	41	,	,	PUNCT
eurjchem-2480	187	42	and	and	CCONJ
eurjchem-2480	187	43	0.622287	0.622287	NUM
eurjchem-2480	187	44	h	h	NOUN
eurjchem-2480	187	45	,	,	PUNCT
eurjchem-2480	187	46	respectively	respectively	ADV
eurjchem-2480	187	47	.	.	PUNCT
eurjchem-2480	188	1	the	the	DET
eurjchem-2480	188	2	deviation	deviation	NOUN
eurjchem-2480	188	3	from	from	ADP
eurjchem-2480	188	4	n	n	NOUN
eurjchem-2480	188	5	=	=	SYM
eurjchem-2480	188	6	1	1	NUM
eurjchem-2480	188	7	is	be	AUX
eurjchem-2480	188	8	0.632432	0.632432	NUM
eurjchem-2480	188	9	0.647791	0.647791	NUM
eurjchem-2480	188	10	=	=	PUNCT
eurjchem-2480	188	11	-0.015359	-0.015359	NOUN
eurjchem-2480	189	1	h	h	NOUN
eurjchem-2480	190	1	≈	≈	PROPN
eurjchem-2480	190	2	-9.6	-9.6	PROPN
eurjchem-2480	190	3	kcal	kcal	NOUN
eurjchem-2480	190	4	/	/	SYM
eurjchem-2480	190	5	mol	mol	NOUN
eurjchem-2480	190	6	for	for	ADP
eurjchem-2480	190	7	n	n	NOUN
eurjchem-2480	190	8	=	=	SYM
eurjchem-2480	190	9	0.9	0.9	NUM
eurjchem-2480	190	10	,	,	PUNCT
eurjchem-2480	190	11	and	and	CCONJ
eurjchem-2480	190	12	0.632432	0.632432	NUM
eurjchem-2480	190	13	0.622287	0.622287	NUM
eurjchem-2480	191	1	=	=	SYM
eurjchem-2480	191	2	0.010145	0.010145	NUM
eurjchem-2480	191	3	h	h	NOUN
eurjchem-2480	192	1	≈	≈	PROPN
eurjchem-2480	192	2	6.4	6.4	NUM
eurjchem-2480	192	3	kcal	kcal	NOUN
eurjchem-2480	192	4	/	/	SYM
eurjchem-2480	192	5	mol	mol	NOUN
eurjchem-2480	192	6	for	for	ADP
eurjchem-2480	192	7	n	n	NOUN
eurjchem-2480	192	8	=	=	NOUN
eurjchem-2480	192	9	1.1	1.1	NUM
eurjchem-2480	192	10	.	.	PUNCT
eurjchem-2480	193	1	the	the	DET
eurjchem-2480	193	2	energy	energy	NOUN
eurjchem-2480	193	3	integral	integral	ADJ
eurjchem-2480	193	4	<	<	X
eurjchem-2480	193	5	f1f2|rc1	f1f2|rc1	NOUN
eurjchem-2480	193	6	-	-	PUNCT
eurjchem-2480	193	7	nf1f2	nf1f2	ADV
eurjchem-2480	193	8	>	>	X
eurjchem-2480	193	9	/	/	SYM
eurjchem-2480	193	10	<	<	X
eurjchem-2480	193	11	f1f2|f1f2	f1f2|f1f2	X
eurjchem-2480	193	12	>	>	X
eurjchem-2480	193	13	=	=	PUNCT
eurjchem-2480	193	14	<	<	X
eurjchem-2480	193	15	f1|rc1nf1)>/π	f1|rc1nf1)>/π	NOUN
eurjchem-2480	193	16	with	with	ADP
eurjchem-2480	193	17	the	the	DET
eurjchem-2480	193	18	n	n	NOUN
eurjchem-2480	193	19	=	=	SYM
eurjchem-2480	193	20	0.9	0.9	NUM
eurjchem-2480	193	21	,	,	PUNCT
eurjchem-2480	193	22	1	1	NUM
eurjchem-2480	193	23	and	and	CCONJ
eurjchem-2480	193	24	1.1	1.1	NUM
eurjchem-2480	193	25	yields	yield	NOUN
eurjchem-2480	193	26	0.511865	0.511865	NUM
eurjchem-2480	193	27	,	,	PUNCT
eurjchem-2480	193	28	0.483547	0.483547	NUM
eurjchem-2480	193	29	,	,	PUNCT
eurjchem-2480	193	30	and	and	CCONJ
eurjchem-2480	193	31	0.460405	0.460405	NUM
eurjchem-2480	193	32	h	h	NOUN
eurjchem-2480	193	33	,	,	PUNCT
eurjchem-2480	193	34	respectively	respectively	ADV
eurjchem-2480	193	35	.	.	PUNCT
eurjchem-2480	194	1	the	the	DET
eurjchem-2480	194	2	deviation	deviation	NOUN
eurjchem-2480	194	3	from	from	ADP
eurjchem-2480	194	4	n	n	NOUN
eurjchem-2480	194	5	=	=	SYM
eurjchem-2480	194	6	1	1	NUM
eurjchem-2480	194	7	is	be	AUX
eurjchem-2480	194	8	0.483547	0.483547	NUM
eurjchem-2480	194	9	0.511865	0.511865	NUM
eurjchem-2480	194	10	=	=	PUNCT
eurjchem-2480	194	11	-0.028318	-0.028318	NOUN
eurjchem-2480	194	12	h	h	NOUN
eurjchem-2480	195	1	≈	≈	PROPN
eurjchem-2480	195	2	-17.8	-17.8	PROPN
eurjchem-2480	195	3	kcal	kcal	PROPN
eurjchem-2480	195	4	/	/	SYM
eurjchem-2480	195	5	mol	mol	NOUN
eurjchem-2480	195	6	for	for	ADP
eurjchem-2480	195	7	n=	n=	ADJ
eurjchem-2480	195	8	0.9	0.9	NUM
eurjchem-2480	195	9	,	,	PUNCT
eurjchem-2480	195	10	and	and	CCONJ
eurjchem-2480	195	11	0.483547	0.483547	NUM
eurjchem-2480	195	12	0.460405	0.460405	NUM
eurjchem-2480	195	13	=	=	SYM
eurjchem-2480	196	1	0.023142	0.023142	NUM
eurjchem-2480	196	2	h	h	NOUN
eurjchem-2480	197	1	≈	≈	PROPN
eurjchem-2480	197	2	14.5	14.5	NUM
eurjchem-2480	197	3	kcal	kcal	NOUN
eurjchem-2480	197	4	/	/	SYM
eurjchem-2480	197	5	mol	mol	NOUN
eurjchem-2480	197	6	for	for	ADP
eurjchem-2480	197	7	n	n	NOUN
eurjchem-2480	197	8	=	=	SYM
eurjchem-2480	197	9	1.1	1.1	NUM
eurjchem-2480	197	10	.	.	PUNCT
eurjchem-2480	198	1	importantly	importantly	ADV
eurjchem-2480	198	2	,	,	PUNCT
eurjchem-2480	198	3	equation	equation	NOUN
eurjchem-2480	198	4	18	18	NUM
eurjchem-2480	198	5	predicts	predict	NOUN
eurjchem-2480	198	6	about	about	ADP
eurjchem-2480	198	7	0.03	0.03	NUM
eurjchem-2480	198	8	h	h	NOUN
eurjchem-2480	199	1	≈	≈	PROPN
eurjchem-2480	199	2	18.8	18.8	NUM
eurjchem-2480	199	3	kcal	kcal	NOUN
eurjchem-2480	199	4	/	/	SYM
eurjchem-2480	199	5	mol	mol	NOUN
eurjchem-2480	199	6	correlation	correlation	NOUN
eurjchem-2480	199	7	effect	effect	NOUN
eurjchem-2480	199	8	in	in	ADP
eurjchem-2480	199	9	a	a	DET
eurjchem-2480	199	10	system	system	NOUN
eurjchem-2480	199	11	per	per	ADP
eurjchem-2480	199	12	electron	electron	NOUN
eurjchem-2480	199	13	,	,	PUNCT
eurjchem-2480	199	14	a	a	DET
eurjchem-2480	199	15	consistent	consistent	ADJ
eurjchem-2480	199	16	value	value	NOUN
eurjchem-2480	199	17	with	with	ADP
eurjchem-2480	199	18	these	these	DET
eurjchem-2480	199	19	energy	energy	NOUN
eurjchem-2480	199	20	integrals	integral	NOUN
eurjchem-2480	199	21	as	as	ADP
eurjchem-2480	199	22	a	a	DET
eurjchem-2480	199	23	function	function	NOUN
eurjchem-2480	199	24	of	of	ADP
eurjchem-2480	199	25	n	n	NOUN
eurjchem-2480	199	26	in	in	ADP
eurjchem-2480	199	27	magnitudes	magnitude	NOUN
eurjchem-2480	199	28	.	.	PUNCT
eurjchem-2480	200	1	for	for	ADP
eurjchem-2480	200	2	these	these	DET
eurjchem-2480	200	3	values	value	NOUN
eurjchem-2480	200	4	,	,	PUNCT
eurjchem-2480	200	5	the	the	DET
eurjchem-2480	200	6	3	3	NUM
eurjchem-2480	200	7	and	and	CCONJ
eurjchem-2480	200	8	6	6	NUM
eurjchem-2480	200	9	dimensional	dimensional	ADJ
eurjchem-2480	200	10	cases	case	NOUN
eurjchem-2480	200	11	of	of	ADP
eurjchem-2480	200	12	numerical	numerical	ADJ
eurjchem-2480	200	13	integration	integration	NOUN
eurjchem-2480	200	14	in	in	ADP
eurjchem-2480	200	15	equations	equation	NOUN
eurjchem-2480	200	16	13	13	NUM
eurjchem-2480	200	17	and	and	CCONJ
eurjchem-2480	200	18	14	14	NUM
eurjchem-2480	200	19	for	for	ADP
eurjchem-2480	200	20	n	n	PRON
eurjchem-2480	200	21	≠	≠	PROPN
eurjchem-2480	200	22	1	1	NUM
eurjchem-2480	200	23	,	,	PUNCT
eurjchem-2480	200	24	and	and	CCONJ
eurjchem-2480	200	25	analytical	analytical	ADJ
eurjchem-2480	200	26	integration	integration	NOUN
eurjchem-2480	200	27	for	for	ADP
eurjchem-2480	200	28	n	n	NOUN
eurjchem-2480	200	29	=	=	SYM
eurjchem-2480	200	30	1	1	NUM
eurjchem-2480	200	31	were	be	AUX
eurjchem-2480	200	32	used	use	VERB
eurjchem-2480	200	33	.	.	PUNCT
eurjchem-2480	201	1	another	another	DET
eurjchem-2480	201	2	device	device	NOUN
eurjchem-2480	201	3	is	be	AUX
eurjchem-2480	201	4	introduced	introduce	VERB
eurjchem-2480	201	5	,	,	PUNCT
eurjchem-2480	201	6	where	where	SCONJ
eurjchem-2480	201	7	the	the	DET
eurjchem-2480	201	8	square	square	NOUN
eurjchem-2480	201	9	of	of	ADP
eurjchem-2480	201	10	the	the	DET
eurjchem-2480	201	11	hamiltonian	hamiltonian	ADJ
eurjchem-2480	201	12	operator	operator	NOUN
eurjchem-2480	201	13	[	[	X
eurjchem-2480	201	14	13	13	NUM
eurjchem-2480	201	15	]	]	PUNCT
eurjchem-2480	201	16	can	can	AUX
eurjchem-2480	201	17	be	be	AUX
eurjchem-2480	201	18	used	use	VERB
eurjchem-2480	201	19	to	to	PART
eurjchem-2480	201	20	calculate	calculate	VERB
eurjchem-2480	201	21	the	the	DET
eurjchem-2480	201	22	correlation	correlation	NOUN
eurjchem-2480	201	23	effects	effect	NOUN
eurjchem-2480	201	24	,	,	PUNCT
eurjchem-2480	201	25	together	together	ADV
eurjchem-2480	201	26	with	with	ADP
eurjchem-2480	201	27	the	the	DET
eurjchem-2480	201	28	use	use	NOUN
eurjchem-2480	201	29	of	of	ADP
eurjchem-2480	201	30	energy	energy	NOUN
eurjchem-2480	201	31	operators	operator	NOUN
eurjchem-2480	201	32	in	in	ADP
eurjchem-2480	201	33	equation	equation	NOUN
eurjchem-2480	201	34	2	2	NUM
eurjchem-2480	201	35	.	.	PUNCT
eurjchem-2480	201	36	applying	apply	VERB
eurjchem-2480	201	37	the	the	DET
eurjchem-2480	201	38	hamiltonian	hamiltonian	NOUN
eurjchem-2480	201	39	twice	twice	ADV
eurjchem-2480	201	40	to	to	ADP
eurjchem-2480	201	41	the	the	DET
eurjchem-2480	201	42	ground	ground	NOUN
eurjchem-2480	201	43	state	state	NOUN
eurjchem-2480	201	44	wave	wave	NOUN
eurjchem-2480	201	45	function	function	NOUN
eurjchem-2480	201	46	simply	simply	ADV
eurjchem-2480	201	47	yields	yield	VERB
eurjchem-2480	201	48	h2ψ0=	h2ψ0=	ADP
eurjchem-2480	201	49	e0,electrhψ0=	e0,electrhψ0=	PROPN
eurjchem-2480	201	50	e0,electr2ψ0	e0,electr2ψ0	PROPN
eurjchem-2480	201	51	,	,	PUNCT
eurjchem-2480	201	52	that	that	ADV
eurjchem-2480	201	53	is	is	ADV
eurjchem-2480	201	54	,	,	PUNCT
eurjchem-2480	201	55	e0,electr2	e0,electr2	ADJ
eurjchem-2480	201	56	=	=	PUNCT
eurjchem-2480	201	57	<	<	X
eurjchem-2480	201	58	ψ0|h2ψ0>/<ψ0|ψ0	ψ0|h2ψ0>/<ψ0|ψ0	ADJ
eurjchem-2480	201	59	>	>	X
eurjchem-2480	201	60	,	,	PUNCT
eurjchem-2480	201	61	wherein	wherein	SCONJ
eurjchem-2480	201	62	the	the	DET
eurjchem-2480	201	63	h2	h2	NOUN
eurjchem-2480	201	64	preserves	preserve	VERB
eurjchem-2480	201	65	the	the	DET
eurjchem-2480	201	66	linearity	linearity	NOUN
eurjchem-2480	201	67	and	and	CCONJ
eurjchem-2480	201	68	hermetic	hermetic	ADJ
eurjchem-2480	201	69	property	property	NOUN
eurjchem-2480	201	70	of	of	ADP
eurjchem-2480	201	71	h	h	NOUN
eurjchem-2480	201	72	itself	itself	PRON
eurjchem-2480	201	73	.	.	PUNCT
eurjchem-2480	202	1	for	for	ADP
eurjchem-2480	202	2	example	example	NOUN
eurjchem-2480	202	3	,	,	PUNCT
eurjchem-2480	202	4	if	if	SCONJ
eurjchem-2480	202	5	the	the	DET
eurjchem-2480	202	6	hf	hf	PROPN
eurjchem-2480	202	7	-	-	PUNCT
eurjchem-2480	202	8	scf	scf	NOUN
eurjchem-2480	202	9	/	/	PUNCT
eurjchem-2480	202	10	basis	basis	NOUN
eurjchem-2480	202	11	single	single	ADJ
eurjchem-2480	202	12	determinant	determinant	ADJ
eurjchem-2480	202	13	s0	s0	PROPN
eurjchem-2480	202	14	approximates	approximate	VERB
eurjchem-2480	202	15	ψ0	ψ0	PROPN
eurjchem-2480	202	16	,	,	PUNCT
eurjchem-2480	202	17	the	the	DET
eurjchem-2480	202	18	approximation	approximation	NOUN
eurjchem-2480	202	19	|e0,electr|	|e0,electr|	NOUN
eurjchem-2480	202	20	≈	≈	PROPN
eurjchem-2480	202	21	(	(	PUNCT
eurjchem-2480	202	22	<	<	X
eurjchem-2480	202	23	s0|h2s0>/<s0|s0>)1/2	s0|h2s0>/<s0|s0>)1/2	PROPN
eurjchem-2480	202	24	can	can	AUX
eurjchem-2480	202	25	improve	improve	VERB
eurjchem-2480	202	26	the	the	DET
eurjchem-2480	202	27	approximation	approximation	NOUN
eurjchem-2480	202	28	e0,electr	e0,electr	PROPN
eurjchem-2480	203	1	≈	≈	PROPN
eurjchem-2480	203	2	<	<	X
eurjchem-2480	203	3	s0|h|s0>/<s0|s0	s0|h|s0>/<s0|s0	X
eurjchem-2480	203	4	>	>	X
eurjchem-2480	203	5	as	as	SCONJ
eurjchem-2480	203	6	follows	follow	VERB
eurjchem-2480	203	7	:	:	PUNCT
eurjchem-2480	203	8	the	the	DET
eurjchem-2480	203	9	non	non	ADJ
eurjchem-2480	203	10	-	-	ADJ
eurjchem-2480	203	11	associative	associative	ADJ
eurjchem-2480	203	12	property	property	NOUN
eurjchem-2480	203	13	must	must	AUX
eurjchem-2480	203	14	be	be	AUX
eurjchem-2480	203	15	kept	keep	VERB
eurjchem-2480	203	16	in	in	ADP
eurjchem-2480	203	17	mind	mind	NOUN
eurjchem-2480	203	18	;	;	PUNCT
eurjchem-2480	203	19	see	see	VERB
eurjchem-2480	203	20	appendix	appendix	NOUN
eurjchem-2480	203	21	5	5	NUM
eurjchem-2480	203	22	.	.	PUNCT
eurjchem-2480	204	1	if	if	SCONJ
eurjchem-2480	204	2	the	the	DET
eurjchem-2480	204	3	approximate	approximate	ADJ
eurjchem-2480	204	4	s0	s0	PROPN
eurjchem-2480	204	5	is	be	AUX
eurjchem-2480	204	6	used	use	VERB
eurjchem-2480	204	7	,	,	PUNCT
eurjchem-2480	204	8	the	the	DET
eurjchem-2480	204	9	optimization	optimization	NOUN
eurjchem-2480	204	10	of	of	ADP
eurjchem-2480	204	11	<	<	X
eurjchem-2480	204	12	s0|h2s0>/<s0|s0	s0|h2s0>/<s0|s0	X
eurjchem-2480	204	13	>	>	X
eurjchem-2480	204	14	is	be	AUX
eurjchem-2480	204	15	a	a	DET
eurjchem-2480	204	16	more	more	ADV
eurjchem-2480	204	17	complex	complex	ADJ
eurjchem-2480	204	18	task	task	NOUN
eurjchem-2480	204	19	than	than	ADP
eurjchem-2480	204	20	that	that	PRON
eurjchem-2480	204	21	of	of	ADP
eurjchem-2480	204	22	the	the	DET
eurjchem-2480	204	23	<	<	X
eurjchem-2480	204	24	s0|hs0>/<s0|s0	s0|hs0>/<s0|s0	NOUN
eurjchem-2480	204	25	>	>	X
eurjchem-2480	204	26	by	by	ADP
eurjchem-2480	204	27	e.g.	e.g.	ADV
eurjchem-2480	204	28	a	a	DET
eurjchem-2480	204	29	hf	hf	PROPN
eurjchem-2480	204	30	-	-	PUNCT
eurjchem-2480	204	31	scf	scf	PROPN
eurjchem-2480	204	32	.	.	PUNCT
eurjchem-2480	205	1	the	the	DET
eurjchem-2480	205	2	variation	variation	NOUN
eurjchem-2480	205	3	principle	principle	NOUN
eurjchem-2480	205	4	is	be	AUX
eurjchem-2480	205	5	also	also	ADV
eurjchem-2480	205	6	not	not	PART
eurjchem-2480	205	7	as	as	ADV
eurjchem-2480	205	8	simple	simple	ADJ
eurjchem-2480	205	9	:	:	PUNCT
eurjchem-2480	205	10	with	with	ADP
eurjchem-2480	205	11	the	the	DET
eurjchem-2480	205	12	help	help	NOUN
eurjchem-2480	205	13	of	of	ADP
eurjchem-2480	205	14	a	a	DET
eurjchem-2480	205	15	primitive	primitive	ADJ
eurjchem-2480	205	16	picture	picture	NOUN
eurjchem-2480	205	17	,	,	PUNCT
eurjchem-2480	205	18	because	because	SCONJ
eurjchem-2480	205	19	the	the	DET
eurjchem-2480	205	20	<	<	X
eurjchem-2480	205	21	s0|hs0>/<s0|s0	s0|hs0>/<s0|s0	NOUN
eurjchem-2480	205	22	>	>	X
eurjchem-2480	205	23	depends	depend	VERB
eurjchem-2480	205	24	on	on	ADP
eurjchem-2480	205	25	lcao	lcao	NOUN
eurjchem-2480	205	26	parameters	parameter	NOUN
eurjchem-2480	205	27	(	(	PUNCT
eurjchem-2480	205	28	let	let	VERB
eurjchem-2480	205	29	it	it	PRON
eurjchem-2480	205	30	be	be	AUX
eurjchem-2480	205	31	now	now	ADV
eurjchem-2480	205	32	a	a	DET
eurjchem-2480	205	33	single	single	ADJ
eurjchem-2480	205	34	c	c	NOUN
eurjchem-2480	205	35	)	)	PUNCT
eurjchem-2480	205	36	as	as	ADP
eurjchem-2480	205	37	e.g.	e.g.	ADV
eurjchem-2480	205	38	,	,	PUNCT
eurjchem-2480	205	39	a	a	DET
eurjchem-2480	205	40	u	u	NOUN
eurjchem-2480	205	41	-	-	NOUN
eurjchem-2480	205	42	shape	shape	NOUN
eurjchem-2480	205	43	(	(	PUNCT
eurjchem-2480	205	44	c-1)2	c-1)2	VERB
eurjchem-2480	205	45	-	-	ADJ
eurjchem-2480	205	46	1	1	NUM
eurjchem-2480	205	47	parabola	parabola	NOUN
eurjchem-2480	205	48	with	with	ADP
eurjchem-2480	205	49	minimum	minimum	NOUN
eurjchem-2480	205	50	at	at	ADP
eurjchem-2480	205	51	c	c	NOUN
eurjchem-2480	205	52	=	=	SYM
eurjchem-2480	205	53	1	1	NUM
eurjchem-2480	205	54	under	under	ADP
eurjchem-2480	205	55	the	the	DET
eurjchem-2480	205	56	c	c	NOUN
eurjchem-2480	205	57	-	-	PUNCT
eurjchem-2480	205	58	axis	axis	ADJ
eurjchem-2480	205	59	,	,	PUNCT
eurjchem-2480	205	60	it	it	PRON
eurjchem-2480	205	61	follows	follow	VERB
eurjchem-2480	205	62	that	that	SCONJ
eurjchem-2480	205	63	the	the	DET
eurjchem-2480	205	64	<	<	X
eurjchem-2480	205	65	s0|h2s0>/<s0|s0	s0|h2s0>/<s0|s0	X
eurjchem-2480	205	66	>	>	X
eurjchem-2480	205	67	depends	depend	VERB
eurjchem-2480	205	68	on	on	ADP
eurjchem-2480	205	69	c	c	PROPN
eurjchem-2480	205	70	as	as	ADP
eurjchem-2480	205	71	a	a	DET
eurjchem-2480	205	72	w	w	NOUN
eurjchem-2480	205	73	-	-	PUNCT
eurjchem-2480	205	74	shape	shape	NOUN
eurjchem-2480	205	75	curve	curve	NOUN
eurjchem-2480	205	76	(	(	PUNCT
eurjchem-2480	205	77	(	(	PUNCT
eurjchem-2480	205	78	c-1)2	c-1)2	VERB
eurjchem-2480	205	79	-	-	NOUN
eurjchem-2480	205	80	1)2	1)2	NUM
eurjchem-2480	205	81	.	.	PUNCT
eurjchem-2480	206	1	the	the	DET
eurjchem-2480	206	2	latter	latter	ADJ
eurjchem-2480	206	3	lies	lie	VERB
eurjchem-2480	206	4	on	on	ADP
eurjchem-2480	206	5	the	the	DET
eurjchem-2480	206	6	c	c	NOUN
eurjchem-2480	206	7	-	-	PUNCT
eurjchem-2480	206	8	axis	axis	NOUN
eurjchem-2480	206	9	with	with	ADP
eurjchem-2480	206	10	its	its	PRON
eurjchem-2480	206	11	two	two	NUM
eurjchem-2480	206	12	minimum	minimum	ADJ
eurjchem-2480	206	13	points	point	NOUN
eurjchem-2480	206	14	at	at	ADP
eurjchem-2480	206	15	c	c	NOUN
eurjchem-2480	206	16	=	=	SYM
eurjchem-2480	206	17	0	0	NUM
eurjchem-2480	206	18	and	and	CCONJ
eurjchem-2480	206	19	2	2	NUM
eurjchem-2480	206	20	,	,	PUNCT
eurjchem-2480	206	21	as	as	ADV
eurjchem-2480	206	22	well	well	ADV
eurjchem-2480	206	23	as	as	ADP
eurjchem-2480	206	24	the	the	DET
eurjchem-2480	206	25	former	former	ADJ
eurjchem-2480	206	26	global	global	ADJ
eurjchem-2480	206	27	minimum	minimum	NOUN
eurjchem-2480	206	28	at	at	ADP
eurjchem-2480	206	29	c	c	NOUN
eurjchem-2480	206	30	=	=	SYM
eurjchem-2480	206	31	1	1	NUM
eurjchem-2480	206	32	has	have	AUX
eurjchem-2480	206	33	transformed	transform	VERB
eurjchem-2480	206	34	into	into	ADP
eurjchem-2480	206	35	a	a	DET
eurjchem-2480	206	36	local	local	ADJ
eurjchem-2480	206	37	maximum	maximum	NOUN
eurjchem-2480	206	38	at	at	ADP
eurjchem-2480	206	39	c	c	NOUN
eurjchem-2480	206	40	=	=	SYM
eurjchem-2480	206	41	1	1	X
eurjchem-2480	206	42	.	.	PUNCT
eurjchem-2480	207	1	in	in	ADP
eurjchem-2480	207	2	real	real	ADJ
eurjchem-2480	207	3	systems	system	NOUN
eurjchem-2480	207	4	,	,	PUNCT
eurjchem-2480	207	5	the	the	DET
eurjchem-2480	207	6	global	global	ADJ
eurjchem-2480	207	7	energy	energy	NOUN
eurjchem-2480	207	8	minimum	minimum	NOUN
eurjchem-2480	207	9	we	we	PRON
eurjchem-2480	207	10	seek	seek	VERB
eurjchem-2480	207	11	transforms	transform	VERB
eurjchem-2480	207	12	into	into	ADP
eurjchem-2480	207	13	a	a	DET
eurjchem-2480	207	14	local	local	ADJ
eurjchem-2480	207	15	maximum	maximum	NOUN
eurjchem-2480	207	16	with	with	ADP
eurjchem-2480	207	17	respect	respect	NOUN
eurjchem-2480	207	18	to	to	ADP
eurjchem-2480	207	19	linear	linear	ADJ
eurjchem-2480	207	20	combination	combination	NOUN
eurjchem-2480	207	21	of	of	ADP
eurjchem-2480	207	22	atomic	atomic	ADJ
eurjchem-2480	207	23	orbitals	orbital	NOUN
eurjchem-2480	207	24	(	(	PUNCT
eurjchem-2480	207	25	lcao	lcao	NOUN
eurjchem-2480	207	26	)	)	PUNCT
eurjchem-2480	207	27	parameters	parameter	NOUN
eurjchem-2480	207	28	or	or	CCONJ
eurjchem-2480	207	29	an	an	DET
eurjchem-2480	207	30	increasing	increase	VERB
eurjchem-2480	207	31	function	function	NOUN
eurjchem-2480	207	32	.	.	PUNCT
eurjchem-2480	208	1	in	in	ADP
eurjchem-2480	208	2	this	this	DET
eurjchem-2480	208	3	procedure	procedure	NOUN
eurjchem-2480	208	4	,	,	PUNCT
eurjchem-2480	208	5	the	the	DET
eurjchem-2480	208	6	coulomb	coulomb	NOUN
eurjchem-2480	208	7	integrals	integral	NOUN
eurjchem-2480	208	8	with	with	ADP
eurjchem-2480	208	9	operators	operator	NOUN
eurjchem-2480	208	10	hne2	hne2	PROPN
eurjchem-2480	208	11	,	,	PUNCT
eurjchem-2480	208	12	hnehee	hnehee	PROPN
eurjchem-2480	208	13	,	,	PUNCT
eurjchem-2480	208	14	and	and	CCONJ
eurjchem-2480	208	15	hee2	hee2	PROPN
eurjchem-2480	208	16	come	come	VERB
eurjchem-2480	208	17	up	up	ADP
eurjchem-2480	208	18	,	,	PUNCT
eurjchem-2480	208	19	that	that	ADV
eurjchem-2480	208	20	is	is	ADV
eurjchem-2480	208	21	,	,	PUNCT
eurjchem-2480	208	22	with	with	SCONJ
eurjchem-2480	208	23	the	the	DET
eurjchem-2480	208	24	energy	energy	NOUN
eurjchem-2480	208	25	operators	operator	NOUN
eurjchem-2480	208	26	rairbj	rairbj	VERB
eurjchem-2480	208	27	,	,	PUNCT
eurjchem-2480	208	28	rairjk	rairjk	VERB
eurjchem-2480	208	29	,	,	PUNCT
eurjchem-2480	208	30	and	and	CCONJ
eurjchem-2480	208	31	rijrkl	rijrkl	VERB
eurjchem-2480	208	32	with	with	ADP
eurjchem-2480	208	33	a	a	DET
eurjchem-2480	208	34	,	,	PUNCT
eurjchem-2480	208	35	b	b	NOUN
eurjchem-2480	208	36	=	=	SYM
eurjchem-2480	208	37	1	1	NUM
eurjchem-2480	208	38	…	…	PUNCT
eurjchem-2480	208	39	,	,	PUNCT
eurjchem-2480	208	40	m	m	VERB
eurjchem-2480	208	41	nuclei	nucleus	NOUN
eurjchem-2480	208	42	and	and	CCONJ
eurjchem-2480	208	43	i	i	PROPN
eurjchem-2480	208	44	,	,	PUNCT
eurjchem-2480	208	45	j	j	PROPN
eurjchem-2480	208	46	,	,	PUNCT
eurjchem-2480	208	47	k	k	PROPN
eurjchem-2480	208	48	,	,	PUNCT
eurjchem-2480	208	49	l	l	NOUN
eurjchem-2480	208	50	=	=	SYM
eurjchem-2480	208	51	1	1	NUM
eurjchem-2480	208	52	…	…	PUNCT
eurjchem-2480	208	53	,	,	PUNCT
eurjchem-2480	208	54	n	n	PRON
eurjchem-2480	208	55	electrons	electron	NOUN
eurjchem-2480	208	56	from	from	ADP
eurjchem-2480	208	57	equation	equation	NOUN
eurjchem-2480	208	58	2	2	NUM
eurjchem-2480	208	59	.	.	PUNCT
eurjchem-2480	209	1	all	all	DET
eurjchem-2480	209	2	these	these	PRON
eurjchem-2480	209	3	can	can	AUX
eurjchem-2480	209	4	be	be	AUX
eurjchem-2480	209	5	evaluated	evaluate	VERB
eurjchem-2480	209	6	numerically	numerically	ADV
eurjchem-2480	209	7	with	with	ADP
eurjchem-2480	209	8	sto	sto	ADJ
eurjchem-2480	209	9	basis	basis	NOUN
eurjchem-2480	209	10	sets	set	NOUN
eurjchem-2480	209	11	or	or	CCONJ
eurjchem-2480	209	12	analytically	analytically	ADV
eurjchem-2480	209	13	with	with	ADP
eurjchem-2480	209	14	gto	gto	PROPN
eurjchem-2480	209	15	basis	basis	NOUN
eurjchem-2480	209	16	sets	set	NOUN
eurjchem-2480	209	17	,	,	PUNCT
eurjchem-2480	209	18	as	as	SCONJ
eurjchem-2480	209	19	detailed	detailed	ADJ
eurjchem-2480	209	20	in	in	ADP
eurjchem-2480	209	21	the	the	DET
eurjchem-2480	209	22	previous	previous	ADJ
eurjchem-2480	209	23	chapters	chapter	NOUN
eurjchem-2480	209	24	.	.	PUNCT
eurjchem-2480	210	1	grouping	group	VERB
eurjchem-2480	210	2	as	as	ADP
eurjchem-2480	210	3	h=	h=	X
eurjchem-2480	210	4	h∇+(hne+hee	h∇+(hne+hee	PROPN
eurjchem-2480	210	5	)	)	PUNCT
eurjchem-2480	210	6	and	and	CCONJ
eurjchem-2480	210	7	using	use	VERB
eurjchem-2480	210	8	<	<	X
eurjchem-2480	210	9	s0|h2|s0>=	s0|h2|s0>=	NOUN
eurjchem-2480	210	10	<	<	X
eurjchem-2480	210	11	hs0|hs0	hs0|hs0	X
eurjchem-2480	210	12	>	>	X
eurjchem-2480	210	13	to	to	PART
eurjchem-2480	210	14	avoid	avoid	VERB
eurjchem-2480	210	15	h∇hne	h∇hne	X
eurjchem-2480	210	16	and	and	CCONJ
eurjchem-2480	210	17	h∇hee	h∇hee	PROPN
eurjchem-2480	210	18	,	,	PUNCT
eurjchem-2480	210	19	it	it	PRON
eurjchem-2480	210	20	yields	yield	VERB
eurjchem-2480	210	21	eelectr,02	eelectr,02	ADJ
eurjchem-2480	210	22	=	=	SYM
eurjchem-2480	210	23	(	(	PUNCT
eurjchem-2480	210	24	t+vne+vee)2	t+vne+vee)2	PRON
eurjchem-2480	210	25	=	=	PUNCT
eurjchem-2480	210	26	t2	t2	PROPN
eurjchem-2480	210	27	+	+	CCONJ
eurjchem-2480	210	28	2t(vne+vee	2t(vne+vee	NOUN
eurjchem-2480	210	29	)	)	PUNCT
eurjchem-2480	211	1	+	+	CCONJ
eurjchem-2480	211	2	(	(	PUNCT
eurjchem-2480	211	3	vne+vee)2	vne+vee)2	X
eurjchem-2480	212	1	≈	≈	X
eurjchem-2480	212	2	<	<	X
eurjchem-2480	212	3	s0|h2s0	s0|h2s0	X
eurjchem-2480	212	4	>	>	X
eurjchem-2480	212	5	=	=	PUNCT
eurjchem-2480	212	6	<	<	X
eurjchem-2480	212	7	h∇s0|h∇s0	h∇s0|h∇s0	X
eurjchem-2480	212	8	>	>	X
eurjchem-2480	212	9	+	+	PROPN
eurjchem-2480	212	10	2	2	NUM
eurjchem-2480	212	11	<	<	X
eurjchem-2480	212	12	h∇s0|(hne+hee)s0	h∇s0|(hne+hee)s0	NOUN
eurjchem-2480	212	13	>	>	X
eurjchem-2480	213	1	+	+	X
eurjchem-2480	213	2	<	<	X
eurjchem-2480	213	3	s0|(hne+hee)2s0	s0|(hne+hee)2s0	X
eurjchem-2480	213	4	>	>	X
eurjchem-2480	213	5	with	with	ADP
eurjchem-2480	213	6	normalization	normalization	NOUN
eurjchem-2480	213	7	<	<	X
eurjchem-2480	213	8	s0|s0	s0|s0	PROPN
eurjchem-2480	213	9	>	>	X
eurjchem-2480	213	10	=	=	SYM
eurjchem-2480	213	11	1	1	NUM
eurjchem-2480	213	12	,	,	PUNCT
eurjchem-2480	213	13	an	an	DET
eurjchem-2480	213	14	ab	ab	PROPN
eurjchem-2480	213	15	initio	initio	NOUN
eurjchem-2480	214	1	[	[	X
eurjchem-2480	214	2	5	5	NUM
eurjchem-2480	214	3	]	]	PUNCT
eurjchem-2480	214	4	term	term	NOUN
eurjchem-2480	214	5	.	.	PUNCT
eurjchem-2480	215	1	the	the	DET
eurjchem-2480	215	2	identification	identification	NOUN
eurjchem-2480	215	3	of	of	ADP
eurjchem-2480	215	4	the	the	DET
eurjchem-2480	215	5	three	three	NUM
eurjchem-2480	215	6	integrals	integral	NOUN
eurjchem-2480	215	7	is	be	AUX
eurjchem-2480	215	8	obvious	obvious	ADJ
eurjchem-2480	215	9	;	;	PUNCT
eurjchem-2480	215	10	for	for	ADP
eurjchem-2480	215	11	example	example	NOUN
eurjchem-2480	215	12	,	,	PUNCT
eurjchem-2480	215	13	the	the	DET
eurjchem-2480	215	14	kinetic	kinetic	ADJ
eurjchem-2480	215	15	operator	operator	NOUN
eurjchem-2480	215	16	h∇	h∇	NOUN
eurjchem-2480	215	17	comes	come	VERB
eurjchem-2480	215	18	up	up	ADP
eurjchem-2480	215	19	in	in	ADP
eurjchem-2480	215	20	the	the	DET
eurjchem-2480	215	21	first	first	ADJ
eurjchem-2480	215	22	and	and	CCONJ
eurjchem-2480	215	23	middle	middle	ADJ
eurjchem-2480	215	24	terms	term	NOUN
eurjchem-2480	215	25	,	,	PUNCT
eurjchem-2480	215	26	as	as	ADV
eurjchem-2480	215	27	well	well	ADV
eurjchem-2480	215	28	as	as	ADP
eurjchem-2480	215	29	the	the	DET
eurjchem-2480	215	30	first	first	ADJ
eurjchem-2480	215	31	being	be	AUX
eurjchem-2480	215	32	a	a	DET
eurjchem-2480	215	33	pure	pure	ADJ
eurjchem-2480	215	34	kinetic	kinetic	ADJ
eurjchem-2480	215	35	part	part	NOUN
eurjchem-2480	215	36	of	of	ADP
eurjchem-2480	215	37	t2	t2	NOUN
eurjchem-2480	215	38	and	and	CCONJ
eurjchem-2480	215	39	the	the	DET
eurjchem-2480	215	40	last	last	ADJ
eurjchem-2480	215	41	being	be	AUX
eurjchem-2480	215	42	a	a	DET
eurjchem-2480	215	43	pure	pure	ADJ
eurjchem-2480	215	44	coulombic	coulombic	ADJ
eurjchem-2480	215	45	part	part	NOUN
eurjchem-2480	215	46	among	among	ADP
eurjchem-2480	215	47	electrons	electron	NOUN
eurjchem-2480	215	48	and	and	CCONJ
eurjchem-2480	215	49	nuclei	nucleus	NOUN
eurjchem-2480	215	50	.	.	PUNCT
eurjchem-2480	216	1	in	in	ADP
eurjchem-2480	216	2	addition	addition	NOUN
eurjchem-2480	216	3	to	to	ADP
eurjchem-2480	216	4	the	the	DET
eurjchem-2480	216	5	analytical	analytical	ADJ
eurjchem-2480	216	6	evaluation	evaluation	NOUN
eurjchem-2480	216	7	,	,	PUNCT
eurjchem-2480	216	8	these	these	DET
eurjchem-2480	216	9	integrals	integral	NOUN
eurjchem-2480	216	10	can	can	AUX
eurjchem-2480	216	11	be	be	AUX
eurjchem-2480	216	12	approximated	approximate	VERB
eurjchem-2480	216	13	with	with	ADP
eurjchem-2480	216	14	dft	dft	PROPN
eurjchem-2480	216	15	using	use	VERB
eurjchem-2480	216	16	ρ	ρ	PROPN
eurjchem-2480	216	17	as	as	SCONJ
eurjchem-2480	216	18	follows	follow	VERB
eurjchem-2480	216	19	:	:	PUNCT
eurjchem-2480	216	20	the	the	DET
eurjchem-2480	216	21	kinetic	kinetic	ADJ
eurjchem-2480	216	22	energy	energy	NOUN
eurjchem-2480	216	23	functional	functional	ADJ
eurjchem-2480	216	24	(	(	PUNCT
eurjchem-2480	216	25	for	for	ADP
eurjchem-2480	216	26	part	part	NOUN
eurjchem-2480	216	27	of	of	ADP
eurjchem-2480	216	28	t2	t2	NOUN
eurjchem-2480	216	29	)	)	PUNCT
eurjchem-2480	216	30	with	with	ADP
eurjchem-2480	216	31	one	one	NUM
eurjchem-2480	216	32	-	-	PUNCT
eurjchem-2480	216	33	electron	electron	NOUN
eurjchem-2480	216	34	orbitals	orbital	NOUN
eurjchem-2480	216	35	is	be	AUX
eurjchem-2480	216	36	<	<	X
eurjchem-2480	216	37	h∇s0|h∇s0	h∇s0|h∇s0	X
eurjchem-2480	216	38	>	>	X
eurjchem-2480	216	39	≈	≈	PROPN
eurjchem-2480	216	40	(	(	PUNCT
eurjchem-2480	216	41	1/4)∑1n∫(∇2ϕi)2dr1	1/4)∑1n∫(∇2ϕi)2dr1	PROPN
eurjchem-2480	216	42	,	,	PUNCT
eurjchem-2480	216	43	corresponding	correspond	VERB
eurjchem-2480	216	44	to	to	ADP
eurjchem-2480	216	45	the	the	DET
eurjchem-2480	216	46	emblematic	emblematic	ADJ
eurjchem-2480	216	47	equation	equation	NOUN
eurjchem-2480	216	48	20	20	NUM
eurjchem-2480	216	49	in	in	ADP
eurjchem-2480	216	50	appendix	appendix	NOUN
eurjchem-2480	216	51	6	6	NUM
eurjchem-2480	216	52	(	(	PUNCT
eurjchem-2480	216	53	for	for	ADP
eurjchem-2480	216	54	full	full	ADJ
eurjchem-2480	216	55	t	t	PROPN
eurjchem-2480	216	56	)	)	PUNCT
eurjchem-2480	216	57	.	.	PUNCT
eurjchem-2480	217	1	the	the	DET
eurjchem-2480	217	2	∫ρ(1)ρ(2)w(1,2)dr1dr2	∫ρ(1)ρ(2)w(1,2)dr1dr2	NOUN
eurjchem-2480	217	3	terms	term	NOUN
eurjchem-2480	217	4	here	here	ADV
eurjchem-2480	217	5	with	with	ADP
eurjchem-2480	217	6	w	w	NOUN
eurjchem-2480	217	7	from	from	ADP
eurjchem-2480	217	8	equation	equation	NOUN
eurjchem-2480	217	9	2	2	NUM
eurjchem-2480	217	10	and	and	CCONJ
eurjchem-2480	217	11	n	n	CCONJ
eurjchem-2480	217	12	,	,	PUNCT
eurjchem-2480	217	13	m	m	VERB
eurjchem-2480	217	14	=	=	NOUN
eurjchem-2480	217	15	1	1	NUM
eurjchem-2480	217	16	,	,	PUNCT
eurjchem-2480	217	17	2	2	NUM
eurjchem-2480	217	18	correspond	correspond	NOUN
eurjchem-2480	217	19	to	to	ADP
eurjchem-2480	217	20	the	the	DET
eurjchem-2480	217	21	emblematic	emblematic	ADJ
eurjchem-2480	217	22	equation	equation	NOUN
eurjchem-2480	217	23	11	11	NUM
eurjchem-2480	217	24	in	in	ADP
eurjchem-2480	217	25	appendix	appendix	NOUN
eurjchem-2480	217	26	6	6	NUM
eurjchem-2480	217	27	.	.	PUNCT
eurjchem-2480	218	1	an	an	DET
eurjchem-2480	218	2	example	example	NOUN
eurjchem-2480	218	3	with	with	SCONJ
eurjchem-2480	218	4	a	a	DET
eurjchem-2480	218	5	hydrogen	hydrogen	NOUN
eurjchem-2480	218	6	atom	atom	NOUN
eurjchem-2480	218	7	follows	follow	VERB
eurjchem-2480	218	8	.	.	PUNCT
eurjchem-2480	219	1	choose	choose	VERB
eurjchem-2480	219	2	a	a	DET
eurjchem-2480	219	3	gto	gto	NOUN
eurjchem-2480	219	4	from	from	ADP
eurjchem-2480	219	5	equation	equation	NOUN
eurjchem-2480	219	6	1	1	NUM
eurjchem-2480	219	7	as	as	ADP
eurjchem-2480	219	8	s0	s0	PROPN
eurjchem-2480	219	9	=	=	PUNCT
eurjchem-2480	219	10	c	c	PROPN
eurjchem-2480	219	11	α	α	NOUN
eurjchem-2480	219	12	g(r1	g(r1	PROPN
eurjchem-2480	219	13	)	)	PUNCT
eurjchem-2480	219	14	with	with	ADP
eurjchem-2480	219	15	g≡	g≡	NOUN
eurjchem-2480	219	16	exp(-a	exp(-a	NUM
eurjchem-2480	219	17	r2	r2	NOUN
eurjchem-2480	219	18	)	)	PUNCT
eurjchem-2480	219	19	to	to	PART
eurjchem-2480	219	20	approximate	approximate	VERB
eurjchem-2480	219	21	the	the	DET
eurjchem-2480	219	22	exact	exact	NOUN
eurjchem-2480	219	23	ψ0	ψ0	NOUN
eurjchem-2480	219	24	=	=	SYM
eurjchem-2480	219	25	c	c	NOUN
eurjchem-2480	219	26	α	α	NOUN
eurjchem-2480	219	27	exp(-r	exp(-r	NOUN
eurjchem-2480	219	28	)	)	PUNCT
eurjchem-2480	219	29	and	and	CCONJ
eurjchem-2480	219	30	ee.ectr,0	ee.ectr,0	NOUN
eurjchem-2480	219	31	=	=	SYM
eurjchem-2480	219	32	-0.5	-0.5	NUM
eurjchem-2480	219	33	h	h	NOUN
eurjchem-2480	219	34	,	,	PUNCT
eurjchem-2480	219	35	as	as	SCONJ
eurjchem-2480	219	36	we	we	PRON
eurjchem-2480	219	37	know	know	VERB
eurjchem-2480	219	38	from	from	ADP
eurjchem-2480	219	39	textbooks	textbook	NOUN
eurjchem-2480	219	40	.	.	PUNCT
eurjchem-2480	220	1	the	the	DET
eurjchem-2480	220	2	spin	spin	NOUN
eurjchem-2480	220	3	integrals	integral	VERB
eurjchem-2480	220	4	out	out	ADP
eurjchem-2480	220	5	from	from	ADP
eurjchem-2480	220	6	<	<	X
eurjchem-2480	220	7	|	|	NOUN
eurjchem-2480	220	8	>	>	X
eurjchem-2480	220	9	,	,	PUNCT
eurjchem-2480	220	10	so	so	SCONJ
eurjchem-2480	220	11	one	one	PRON
eurjchem-2480	220	12	can	can	AUX
eurjchem-2480	220	13	start	start	VERB
eurjchem-2480	220	14	with	with	ADP
eurjchem-2480	220	15	s0	s0	NOUN
eurjchem-2480	220	16	:	:	PUNCT
eurjchem-2480	220	17	=	=	PUNCT
eurjchem-2480	220	18	g	g	PROPN
eurjchem-2480	220	19	and	and	CCONJ
eurjchem-2480	220	20	the	the	DET
eurjchem-2480	220	21	c	c	NOUN
eurjchem-2480	220	22	will	will	AUX
eurjchem-2480	220	23	drop	drop	VERB
eurjchem-2480	220	24	via	via	ADP
eurjchem-2480	220	25	the	the	DET
eurjchem-2480	220	26	normalization	normalization	NOUN
eurjchem-2480	220	27	in	in	ADP
eurjchem-2480	220	28	the	the	DET
eurjchem-2480	220	29	denominator	denominator	NOUN
eurjchem-2480	220	30	.	.	PUNCT
eurjchem-2480	221	1	the	the	DET
eurjchem-2480	221	2	h=	h=	NOUN
eurjchem-2480	221	3	-½∇2	-½∇2	PROPN
eurjchem-2480	221	4	-	-	PUNCT
eurjchem-2480	221	5	1	1	NUM
eurjchem-2480	221	6	/	/	SYM
eurjchem-2480	221	7	r	r	NOUN
eurjchem-2480	221	8	yields	yield	NOUN
eurjchem-2480	221	9	<	<	X
eurjchem-2480	221	10	s0|hks0	s0|hks0	NOUN
eurjchem-2480	221	11	>	>	X
eurjchem-2480	221	12	=	=	PUNCT
eurjchem-2480	221	13	∫(-2a2r2	∫(-2a2r2	X
eurjchem-2480	221	14	+3a-1	+3a-1	NOUN
eurjchem-2480	221	15	/	/	SYM
eurjchem-2480	221	16	r)kg2dr	r)kg2dr	ADJ
eurjchem-2480	221	17	with	with	ADP
eurjchem-2480	221	18	k	k	PROPN
eurjchem-2480	221	19	=	=	SYM
eurjchem-2480	221	20	1	1	NUM
eurjchem-2480	221	21	and	and	CCONJ
eurjchem-2480	221	22	2	2	NUM
eurjchem-2480	221	23	.	.	X
eurjchem-2480	222	1	the	the	DET
eurjchem-2480	222	2	expression	expression	NOUN
eurjchem-2480	222	3	ek(a	ek(a	PUNCT
eurjchem-2480	222	4	)	)	PUNCT
eurjchem-2480	222	5	≡	≡	PROPN
eurjchem-2480	222	6	<	<	X
eurjchem-2480	222	7	s0|hks0>/<s0|hs0	s0|hks0>/<s0|hs0	PROPN
eurjchem-2480	222	8	>	>	X
eurjchem-2480	222	9	for	for	ADP
eurjchem-2480	222	10	k	k	PROPN
eurjchem-2480	222	11	=	=	SYM
eurjchem-2480	222	12	0	0	NUM
eurjchem-2480	222	13	,	,	PUNCT
eurjchem-2480	222	14	1	1	NUM
eurjchem-2480	222	15	and	and	CCONJ
eurjchem-2480	222	16	2	2	NUM
eurjchem-2480	222	17	yields	yield	NOUN
eurjchem-2480	222	18	e0	e0	PROPN
eurjchem-2480	222	19	=	=	SYM
eurjchem-2480	222	20	1	1	NUM
eurjchem-2480	222	21	,	,	PUNCT
eurjchem-2480	222	22	e1	e1	NOUN
eurjchem-2480	222	23	=	=	SYM
eurjchem-2480	222	24	a1/2(2	a1/2(2	NOUN
eurjchem-2480	222	25	/	/	SYM
eurjchem-2480	222	26	π)1/2(-8	π)1/2(-8	ADJ
eurjchem-2480	222	27	+	+	NOUN
eurjchem-2480	222	28	3(2aπ)1/2)/4	3(2aπ)1/2)/4	NUM
eurjchem-2480	222	29	and	and	CCONJ
eurjchem-2480	222	30	e2	e2	PROPN
eurjchem-2480	222	31	=	=	PUNCT
eurjchem-2480	222	32	8a3/2(2	8a3/2(2	PROPN
eurjchem-2480	222	33	/	/	SYM
eurjchem-2480	222	34	π)1/2(-1	π)1/2(-1	ADJ
eurjchem-2480	222	35	+	+	CCONJ
eurjchem-2480	222	36	(	(	PUNCT
eurjchem-2480	222	37	16	16	NUM
eurjchem-2480	222	38	+	+	NOUN
eurjchem-2480	222	39	15a)(2π	15a)(2π	NUM
eurjchem-2480	222	40	/	/	SYM
eurjchem-2480	222	41	a)1/2/64	a)1/2/64	NOUN
eurjchem-2480	222	42	)	)	PUNCT
eurjchem-2480	222	43	,	,	PUNCT
eurjchem-2480	222	44	because	because	SCONJ
eurjchem-2480	222	45	now	now	ADV
eurjchem-2480	222	46	an	an	DET
eurjchem-2480	222	47	analytical	analytical	ADJ
eurjchem-2480	222	48	evalua	evalua	NOUN
eurjchem-2480	222	49	-	-	PUNCT
eurjchem-2480	222	50	tion	tion	NOUN
eurjchem-2480	222	51	is	be	AUX
eurjchem-2480	222	52	available	available	ADJ
eurjchem-2480	222	53	.	.	PUNCT
eurjchem-2480	223	1	the	the	DET
eurjchem-2480	223	2	e1	e1	PROPN
eurjchem-2480	223	3	has	have	VERB
eurjchem-2480	223	4	a	a	DET
eurjchem-2480	223	5	minimum	minimum	ADJ
eurjchem-2480	223	6	(	(	PUNCT
eurjchem-2480	223	7	variation	variation	NOUN
eurjchem-2480	223	8	principle	principle	NOUN
eurjchem-2480	223	9	)	)	PUNCT
eurjchem-2480	223	10	at	at	ADP
eurjchem-2480	223	11	a	a	DET
eurjchem-2480	223	12	=	=	SYM
eurjchem-2480	223	13	0.282942	0.282942	NUM
eurjchem-2480	223	14	bohr-2	bohr-2	NUM
eurjchem-2480	223	15	and	and	CCONJ
eurjchem-2480	223	16	an	an	DET
eurjchem-2480	223	17	energy	energy	NOUN
eurjchem-2480	223	18	value	value	NOUN
eurjchem-2480	223	19	e1=	e1=	NOUN
eurjchem-2480	223	20	-0.424414	-0.424414	PUNCT
eurjchem-2480	224	1	h	h	NOUN
eurjchem-2480	224	2	with	with	ADP
eurjchem-2480	224	3	error	error	NOUN
eurjchem-2480	224	4	0.075586	0.075586	NUM
eurjchem-2480	224	5	h	h	NOUN
eurjchem-2480	225	1	≈	≈	PROPN
eurjchem-2480	225	2	47.4	47.4	NUM
eurjchem-2480	225	3	kcal	kcal	NOUN
eurjchem-2480	225	4	/	/	SYM
eurjchem-2480	225	5	mol	mol	NOUN
eurjchem-2480	225	6	from	from	ADP
eurjchem-2480	225	7	value	value	NOUN
eurjchem-2480	225	8	-0.5	-0.5	PROPN
eurjchem-2480	225	9	.	.	PUNCT
eurjchem-2480	226	1	this	this	DET
eurjchem-2480	226	2	error	error	NOUN
eurjchem-2480	226	3	is	be	AUX
eurjchem-2480	226	4	sandor	sandor	PROPN
eurjchem-2480	226	5	kristyan	kristyan	PROPN
eurjchem-2480	226	6	/	/	SYM
eurjchem-2480	226	7	european	european	PROPN
eurjchem-2480	226	8	journal	journal	PROPN
eurjchem-2480	226	9	of	of	ADP
eurjchem-2480	226	10	chemistry	chemistry	NOUN
eurjchem-2480	226	11	14	14	NUM
eurjchem-2480	226	12	(	(	PUNCT
eurjchem-2480	226	13	4	4	NUM
eurjchem-2480	226	14	)	)	PUNCT
eurjchem-2480	226	15	(	(	PUNCT
eurjchem-2480	226	16	2023	2023	NUM
eurjchem-2480	226	17	)	)	PUNCT
eurjchem-2480	226	18	486	486	NUM
eurjchem-2480	226	19	-	-	SYM
eurjchem-2480	226	20	493	493	NUM
eurjchem-2480	226	21	491	491	NUM
eurjchem-2480	226	22	2023	2023	NUM
eurjchem-2480	226	23	–	–	PUNCT
eurjchem-2480	226	24	european	european	ADJ
eurjchem-2480	226	25	journal	journal	NOUN
eurjchem-2480	226	26	of	of	ADP
eurjchem-2480	226	27	chemistry	chemistry	NOUN
eurjchem-2480	226	28	–	–	PUNCT
eurjchem-2480	226	29	cc	cc	NOUN
eurjchem-2480	226	30	by	by	ADP
eurjchem-2480	226	31	nc	nc	PROPN
eurjchem-2480	226	32	–	–	PUNCT
eurjchem-2480	226	33	doi	doi	PROPN
eurjchem-2480	226	34	:	:	PUNCT
eurjchem-2480	226	35	10.5155	10.5155	NUM
eurjchem-2480	226	36	/	/	SYM
eurjchem-2480	226	37	eurjchem.14.4.486	eurjchem.14.4.486	NUM
eurjchem-2480	226	38	-	-	PUNCT
eurjchem-2480	226	39	493.2480	493.2480	NUM
eurjchem-2480	226	40	due	due	ADP
eurjchem-2480	226	41	to	to	ADP
eurjchem-2480	226	42	the	the	DET
eurjchem-2480	226	43	weak	weak	ADJ
eurjchem-2480	226	44	basis	basis	NOUN
eurjchem-2480	226	45	set	set	NOUN
eurjchem-2480	226	46	,	,	PUNCT
eurjchem-2480	226	47	{	{	PUNCT
eurjchem-2480	226	48	g	g	NOUN
eurjchem-2480	226	49	}	}	PUNCT
eurjchem-2480	226	50	,	,	PUNCT
eurjchem-2480	226	51	used	use	VERB
eurjchem-2480	226	52	,	,	PUNCT
eurjchem-2480	226	53	i.e.	i.e.	X
eurjchem-2480	226	54	,	,	PUNCT
eurjchem-2480	226	55	a	a	DET
eurjchem-2480	226	56	“	"	PUNCT
eurjchem-2480	226	57	basis	basis	NOUN
eurjchem-2480	226	58	set	set	NOUN
eurjchem-2480	226	59	error	error	NOUN
eurjchem-2480	226	60	”	"	PUNCT
eurjchem-2480	226	61	,	,	PUNCT
eurjchem-2480	226	62	since	since	SCONJ
eurjchem-2480	226	63	there	there	PRON
eurjchem-2480	226	64	is	be	VERB
eurjchem-2480	226	65	only	only	ADV
eurjchem-2480	226	66	n	n	NOUN
eurjchem-2480	226	67	=	=	SYM
eurjchem-2480	226	68	1	1	NUM
eurjchem-2480	226	69	electron	electron	NOUN
eurjchem-2480	226	70	in	in	ADP
eurjchem-2480	226	71	the	the	DET
eurjchem-2480	226	72	system	system	NOUN
eurjchem-2480	226	73	(	(	PUNCT
eurjchem-2480	226	74	and	and	CCONJ
eurjchem-2480	226	75	no	no	DET
eurjchem-2480	226	76	correlation	correlation	NOUN
eurjchem-2480	226	77	energy	energy	NOUN
eurjchem-2480	226	78	)	)	PUNCT
eurjchem-2480	226	79	.	.	PUNCT
eurjchem-2480	227	1	the	the	DET
eurjchem-2480	227	2	e2	e2	PROPN
eurjchem-2480	227	3	is	be	AUX
eurjchem-2480	227	4	a	a	DET
eurjchem-2480	227	5	monotonically	monotonically	ADV
eurjchem-2480	227	6	increasing	increase	VERB
eurjchem-2480	227	7	function	function	NOUN
eurjchem-2480	227	8	with	with	ADP
eurjchem-2480	227	9	a.	a.	NOUN
eurjchem-2480	227	10	the	the	DET
eurjchem-2480	227	11	e2	e2	PROPN
eurjchem-2480	227	12	with	with	ADP
eurjchem-2480	227	13	a	a	DET
eurjchem-2480	227	14	=	=	SYM
eurjchem-2480	227	15	0.282942	0.282942	NUM
eurjchem-2480	227	16	(	(	PUNCT
eurjchem-2480	227	17	energy	energy	NOUN
eurjchem-2480	227	18	optimized	optimize	VERB
eurjchem-2480	227	19	value	value	NOUN
eurjchem-2480	227	20	of	of	ADP
eurjchem-2480	227	21	de1	de1	PROPN
eurjchem-2480	227	22	/	/	SYM
eurjchem-2480	227	23	da=	da=	PROPN
eurjchem-2480	227	24	0	0	NUM
eurjchem-2480	227	25	)	)	PUNCT
eurjchem-2480	227	26	yields	yield	NOUN
eurjchem-2480	227	27	-(e2)1/2	-(e2)1/2	PUNCT
eurjchem-2480	227	28	=	=	SYM
eurjchem-2480	228	1	-0.686516	-0.686516	NOUN
eurjchem-2480	228	2	h	h	NOUN
eurjchem-2480	228	3	;	;	PUNCT
eurjchem-2480	228	4	it	it	PRON
eurjchem-2480	228	5	is	be	AUX
eurjchem-2480	228	6	under	under	ADP
eurjchem-2480	228	7	-0.5	-0.5	NUM
eurjchem-2480	228	8	since	since	SCONJ
eurjchem-2480	228	9	the	the	DET
eurjchem-2480	228	10	variation	variation	NOUN
eurjchem-2480	228	11	principle	principle	NOUN
eurjchem-2480	228	12	does	do	AUX
eurjchem-2480	228	13	not	not	PART
eurjchem-2480	228	14	hold	hold	VERB
eurjchem-2480	228	15	for	for	ADP
eurjchem-2480	228	16	the	the	DET
eurjchem-2480	228	17	energy	energy	NOUN
eurjchem-2480	228	18	integral	integral	ADJ
eurjchem-2480	228	19	e2	e2	PROPN
eurjchem-2480	228	20	.	.	PUNCT
eurjchem-2480	229	1	both	both	DET
eurjchem-2480	229	2	approximate	approximate	ADJ
eurjchem-2480	229	3	eelectr,0	eelectr,0	NOUN
eurjchem-2480	229	4	;	;	PUNCT
eurjchem-2480	229	5	taking	take	VERB
eurjchem-2480	229	6	the	the	DET
eurjchem-2480	229	7	average	average	NOUN
eurjchem-2480	229	8	as	as	ADP
eurjchem-2480	229	9	(	(	PUNCT
eurjchem-2480	229	10	e1	e1	PROPN
eurjchem-2480	229	11	(	(	PUNCT
eurjchem-2480	229	12	e2)1/2)/2	e2)1/2)/2	PUNCT
eurjchem-2480	229	13	=	=	SYM
eurjchem-2480	229	14	(	(	PUNCT
eurjchem-2480	229	15	0.424414	0.424414	NUM
eurjchem-2480	229	16	-0.686516)/2	-0.686516)/2	PROPN
eurjchem-2480	229	17	=	=	SYM
eurjchem-2480	229	18	-0.555465	-0.555465	NOUN
eurjchem-2480	229	19	h	h	NOUN
eurjchem-2480	229	20	,	,	PUNCT
eurjchem-2480	229	21	it	it	PRON
eurjchem-2480	229	22	deviates	deviate	VERB
eurjchem-2480	229	23	with	with	ADP
eurjchem-2480	229	24	0.055465	0.055465	NUM
eurjchem-2480	229	25	h	h	NOUN
eurjchem-2480	230	1	≈	≈	PROPN
eurjchem-2480	230	2	34.80	34.80	NUM
eurjchem-2480	230	3	kcal	kcal	NOUN
eurjchem-2480	230	4	/	/	SYM
eurjchem-2480	230	5	mol	mol	NOUN
eurjchem-2480	230	6	from	from	ADP
eurjchem-2480	230	7	value	value	NOUN
eurjchem-2480	230	8	-0.5	-0.5	PROPN
eurjchem-2480	230	9	,	,	PUNCT
eurjchem-2480	230	10	a	a	DET
eurjchem-2480	230	11	remarkable	remarkable	ADJ
eurjchem-2480	230	12	improvement	improvement	NOUN
eurjchem-2480	230	13	over	over	ADP
eurjchem-2480	230	14	47.4	47.4	NUM
eurjchem-2480	230	15	kcal	kcal	NOUN
eurjchem-2480	230	16	/	/	SYM
eurjchem-2480	230	17	mol	mol	PROPN
eurjchem-2480	230	18	.	.	PUNCT
eurjchem-2480	231	1	for	for	ADP
eurjchem-2480	231	2	a	a	DET
eurjchem-2480	231	3	non	non	ADJ
eurjchem-2480	231	4	-	-	ADJ
eurjchem-2480	231	5	bonding	bonding	ADJ
eurjchem-2480	231	6	state	state	NOUN
eurjchem-2480	231	7	,	,	PUNCT
eurjchem-2480	231	8	the	the	DET
eurjchem-2480	231	9	average	average	NOUN
eurjchem-2480	231	10	(	(	PUNCT
eurjchem-2480	231	11	e1	e1	PROPN
eurjchem-2480	231	12	+	+	CCONJ
eurjchem-2480	231	13	(	(	PUNCT
eurjchem-2480	231	14	e2)1/2)/2	e2)1/2)/2	X
eurjchem-2480	231	15	must	must	AUX
eurjchem-2480	231	16	be	be	AUX
eurjchem-2480	231	17	taken	take	VERB
eurjchem-2480	231	18	.	.	PUNCT
eurjchem-2480	232	1	with	with	ADP
eurjchem-2480	232	2	more	more	ADV
eurjchem-2480	232	3	advanced	advanced	ADJ
eurjchem-2480	232	4	basis	basis	NOUN
eurjchem-2480	232	5	sets	set	NOUN
eurjchem-2480	232	6	(	(	PUNCT
eurjchem-2480	232	7	sto-3	sto-3	NOUN
eurjchem-2480	232	8	g	g	NOUN
eurjchem-2480	232	9	,	,	PUNCT
eurjchem-2480	232	10	6	6	NUM
eurjchem-2480	232	11	-	-	SYM
eurjchem-2480	232	12	31	31	NUM
eurjchem-2480	232	13	g	g	NOUN
eurjchem-2480	232	14	*	*	NOUN
eurjchem-2480	232	15	,	,	PUNCT
eurjchem-2480	232	16	and	and	CCONJ
eurjchem-2480	232	17	up	up	ADP
eurjchem-2480	232	18	)	)	PUNCT
eurjchem-2480	232	19	,	,	PUNCT
eurjchem-2480	232	20	the	the	DET
eurjchem-2480	232	21	energy	energy	NOUN
eurjchem-2480	232	22	gap	gap	NOUN
eurjchem-2480	232	23	is	be	AUX
eurjchem-2480	232	24	narrower	narrow	ADJ
eurjchem-2480	232	25	around	around	ADP
eurjchem-2480	232	26	the	the	DET
eurjchem-2480	232	27	theoretical	theoretical	ADJ
eurjchem-2480	232	28	value	value	NOUN
eurjchem-2480	232	29	of	of	ADP
eurjchem-2480	232	30	-0.5	-0.5	PROPN
eurjchem-2480	232	31	.	.	PUNCT
eurjchem-2480	233	1	tests	test	NOUN
eurjchem-2480	233	2	for	for	ADP
eurjchem-2480	233	3	many	many	ADJ
eurjchem-2480	233	4	atoms	atom	NOUN
eurjchem-2480	233	5	and	and	CCONJ
eurjchem-2480	233	6	molecules	molecule	NOUN
eurjchem-2480	233	7	will	will	AUX
eurjchem-2480	233	8	be	be	AUX
eurjchem-2480	233	9	reported	report	VERB
eurjchem-2480	233	10	in	in	ADP
eurjchem-2480	233	11	other	other	ADJ
eurjchem-2480	233	12	works	work	NOUN
eurjchem-2480	233	13	.	.	PUNCT
eurjchem-2480	234	1	in	in	ADP
eurjchem-2480	234	2	relation	relation	NOUN
eurjchem-2480	234	3	to	to	ADP
eurjchem-2480	234	4	the	the	DET
eurjchem-2480	234	5	quality	quality	NOUN
eurjchem-2480	234	6	of	of	ADP
eurjchem-2480	234	7	points	point	NOUN
eurjchem-2480	234	8	,	,	PUNCT
eurjchem-2480	234	9	the	the	DET
eurjchem-2480	234	10	accurate	accurate	ADJ
eurjchem-2480	234	11	atomic	atomic	ADJ
eurjchem-2480	234	12	wave	wave	NOUN
eurjchem-2480	234	13	function	function	NOUN
eurjchem-2480	234	14	sto	sto	NOUN
eurjchem-2480	234	15	,	,	PUNCT
eurjchem-2480	234	16	and	and	CCONJ
eurjchem-2480	234	17	the	the	DET
eurjchem-2480	234	18	approximate	approximate	ADJ
eurjchem-2480	234	19	gto	gto	NOUN
eurjchem-2480	234	20	for	for	ADP
eurjchem-2480	234	21	orbitals	orbital	NOUN
eurjchem-2480	234	22	,	,	PUNCT
eurjchem-2480	234	23	we	we	PRON
eurjchem-2480	234	24	mention	mention	VERB
eurjchem-2480	234	25	that	that	SCONJ
eurjchem-2480	234	26	,	,	PUNCT
eurjchem-2480	234	27	in	in	ADP
eurjchem-2480	234	28	3d	3d	NUM
eurjchem-2480	234	29	physical	physical	ADJ
eurjchem-2480	234	30	space	space	NOUN
eurjchem-2480	234	31	,	,	PUNCT
eurjchem-2480	234	32	the	the	DET
eurjchem-2480	234	33	cardinality	cardinality	NOUN
eurjchem-2480	234	34	of	of	ADP
eurjchem-2480	234	35	irrational	irrational	ADJ
eurjchem-2480	234	36	numbers	number	NOUN
eurjchem-2480	234	37	(	(	PUNCT
eurjchem-2480	234	38	which	which	PRON
eurjchem-2480	234	39	,	,	PUNCT
eurjchem-2480	234	40	by	by	ADP
eurjchem-2480	234	41	definition	definition	NOUN
eurjchem-2480	234	42	,	,	PUNCT
eurjchem-2480	234	43	can	can	AUX
eurjchem-2480	234	44	not	not	PART
eurjchem-2480	234	45	be	be	AUX
eurjchem-2480	234	46	the	the	DET
eurjchem-2480	234	47	ratio	ratio	NOUN
eurjchem-2480	234	48	of	of	ADP
eurjchem-2480	234	49	two	two	NUM
eurjchem-2480	234	50	integers	integer	NOUN
eurjchem-2480	234	51	,	,	PUNCT
eurjchem-2480	234	52	e.g.	e.g.	ADV
eurjchem-2480	234	53	,	,	PUNCT
eurjchem-2480	234	54	√2	√2	PROPN
eurjchem-2480	234	55	,	,	PUNCT
eurjchem-2480	234	56	e	e	NOUN
eurjchem-2480	234	57	,	,	PUNCT
eurjchem-2480	234	58	π	π	PROPN
eurjchem-2480	234	59	,	,	PUNCT
eurjchem-2480	234	60	etc	etc	X
eurjchem-2480	234	61	.	.	X
eurjchem-2480	234	62	)	)	PUNCT
eurjchem-2480	234	63	is	be	AUX
eurjchem-2480	234	64	larger	large	ADJ
eurjchem-2480	234	65	than	than	ADP
eurjchem-2480	234	66	that	that	PRON
eurjchem-2480	234	67	of	of	ADP
eurjchem-2480	234	68	rational	rational	ADJ
eurjchem-2480	234	69	numbers	number	NOUN
eurjchem-2480	234	70	(	(	PUNCT
eurjchem-2480	234	71	which	which	PRON
eurjchem-2480	234	72	,	,	PUNCT
eurjchem-2480	234	73	by	by	ADP
eurjchem-2480	234	74	definition	definition	NOUN
eurjchem-2480	234	75	,	,	PUNCT
eurjchem-2480	234	76	are	be	AUX
eurjchem-2480	234	77	the	the	DET
eurjchem-2480	234	78	ratio	ratio	NOUN
eurjchem-2480	234	79	of	of	ADP
eurjchem-2480	234	80	two	two	NUM
eurjchem-2480	234	81	integers	integer	NOUN
eurjchem-2480	234	82	)	)	PUNCT
eurjchem-2480	234	83	.	.	PUNCT
eurjchem-2480	235	1	these	these	DET
eurjchem-2480	235	2	two	two	NUM
eurjchem-2480	235	3	sets	set	NOUN
eurjchem-2480	235	4	,	,	PUNCT
eurjchem-2480	235	5	constituting	constitute	VERB
eurjchem-2480	235	6	the	the	DET
eurjchem-2480	235	7	real	real	ADJ
eurjchem-2480	235	8	numbers	number	NOUN
eurjchem-2480	235	9	,	,	PUNCT
eurjchem-2480	235	10	are	be	AUX
eurjchem-2480	235	11	incountable	incountable	ADJ
eurjchem-2480	235	12	infinite	infinite	ADJ
eurjchem-2480	235	13	and	and	CCONJ
eurjchem-2480	235	14	countable	countable	ADJ
eurjchem-2480	235	15	infinite	infinite	ADJ
eurjchem-2480	235	16	sets	set	NOUN
eurjchem-2480	235	17	,	,	PUNCT
eurjchem-2480	235	18	respectively	respectively	ADV
eurjchem-2480	235	19	.	.	PUNCT
eurjchem-2480	236	1	importantly	importantly	ADV
eurjchem-2480	236	2	,	,	PUNCT
eurjchem-2480	236	3	any	any	DET
eurjchem-2480	236	4	small	small	ADJ
eurjchem-2480	236	5	neighborhood	neighborhood	NOUN
eurjchem-2480	236	6	of	of	ADP
eurjchem-2480	236	7	any	any	DET
eurjchem-2480	236	8	irrational	irrational	ADJ
eurjchem-2480	236	9	point	point	NOUN
eurjchem-2480	236	10	contains	contain	VERB
eurjchem-2480	236	11	dense	dense	ADJ
eurjchem-2480	236	12	,	,	PUNCT
eurjchem-2480	236	13	i.e.	i.e.	X
eurjchem-2480	236	14	,	,	PUNCT
eurjchem-2480	236	15	infinite	infinite	ADJ
eurjchem-2480	236	16	,	,	PUNCT
eurjchem-2480	236	17	irrational	irrational	ADJ
eurjchem-2480	236	18	and	and	CCONJ
eurjchem-2480	236	19	rational	rational	ADJ
eurjchem-2480	236	20	points	point	NOUN
eurjchem-2480	236	21	,	,	PUNCT
eurjchem-2480	236	22	and	and	CCONJ
eurjchem-2480	236	23	vice	vice	ADV
eurjchem-2480	236	24	versa	versa	ADV
eurjchem-2480	236	25	.	.	PUNCT
eurjchem-2480	237	1	rational	rational	ADJ
eurjchem-2480	237	2	values	value	NOUN
eurjchem-2480	237	3	have	have	VERB
eurjchem-2480	237	4	infinite	infinite	ADJ
eurjchem-2480	237	5	segments	segment	NOUN
eurjchem-2480	237	6	periodically	periodically	ADV
eurjchem-2480	237	7	(	(	PUNCT
eurjchem-2480	237	8	e.g.	e.g.	ADV
eurjchem-2480	237	9	,	,	PUNCT
eurjchem-2480	237	10	segment	segment	NOUN
eurjchem-2480	237	11	142857	142857	NUM
eurjchem-2480	237	12	in	in	ADP
eurjchem-2480	237	13	1/7	1/7	NUM
eurjchem-2480	237	14	)	)	PUNCT
eurjchem-2480	237	15	,	,	PUNCT
eurjchem-2480	237	16	while	while	SCONJ
eurjchem-2480	237	17	irrationals	irrational	NOUN
eurjchem-2480	237	18	do	do	VERB
eurjchem-2480	237	19	not	not	PART
eurjchem-2480	237	20	.	.	PUNCT
eurjchem-2480	238	1	the	the	DET
eurjchem-2480	238	2	subdivision	subdivision	NOUN
eurjchem-2480	238	3	of	of	ADP
eurjchem-2480	238	4	real	real	ADJ
eurjchem-2480	238	5	numbers	number	NOUN
eurjchem-2480	238	6	into	into	ADP
eurjchem-2480	238	7	rational	rational	ADJ
eurjchem-2480	238	8	and	and	CCONJ
eurjchem-2480	238	9	irrational	irrational	ADJ
eurjchem-2480	238	10	ones	one	NOUN
eurjchem-2480	238	11	also	also	ADV
eurjchem-2480	238	12	serves	serve	VERB
eurjchem-2480	238	13	an	an	DET
eurjchem-2480	238	14	“	"	PUNCT
eurjchem-2480	238	15	elementary	elementary	ADJ
eurjchem-2480	238	16	or	or	CCONJ
eurjchem-2480	238	17	atomic	atomic	ADJ
eurjchem-2480	238	18	”	"	PUNCT
eurjchem-2480	238	19	separation	separation	NOUN
eurjchem-2480	238	20	in	in	ADP
eurjchem-2480	238	21	physical	physical	ADJ
eurjchem-2480	238	22	space	space	NOUN
eurjchem-2480	238	23	,	,	PUNCT
eurjchem-2480	238	24	still	still	ADV
eurjchem-2480	238	25	considered	consider	VERB
eurjchem-2480	238	26	totally	totally	ADV
eurjchem-2480	238	27	irrelevant	irrelevant	ADJ
eurjchem-2480	238	28	for	for	ADP
eurjchem-2480	238	29	natural	natural	ADJ
eurjchem-2480	238	30	sciences	science	NOUN
eurjchem-2480	238	31	such	such	ADJ
eurjchem-2480	238	32	as	as	ADP
eurjchem-2480	238	33	physics	physics	NOUN
eurjchem-2480	238	34	,	,	PUNCT
eurjchem-2480	238	35	chemistry	chemistry	NOUN
eurjchem-2480	238	36	,	,	PUNCT
eurjchem-2480	238	37	or	or	CCONJ
eurjchem-2480	238	38	biology	biology	NOUN
eurjchem-2480	238	39	.	.	PUNCT
eurjchem-2480	239	1	the	the	DET
eurjchem-2480	239	2	elementary	elementary	ADJ
eurjchem-2480	239	3	concepts	concept	NOUN
eurjchem-2480	239	4	of	of	ADP
eurjchem-2480	239	5	the	the	DET
eurjchem-2480	239	6	physical	physical	ADJ
eurjchem-2480	239	7	world	world	NOUN
eurjchem-2480	239	8	are	be	AUX
eurjchem-2480	239	9	matter	matter	ADJ
eurjchem-2480	239	10	,	,	PUNCT
eurjchem-2480	239	11	time	time	NOUN
eurjchem-2480	239	12	,	,	PUNCT
eurjchem-2480	239	13	space	space	NOUN
eurjchem-2480	239	14	(	(	PUNCT
eurjchem-2480	239	15	mathematical	mathematical	ADJ
eurjchem-2480	239	16	coordinates	coordinate	NOUN
eurjchem-2480	239	17	)	)	PUNCT
eurjchem-2480	239	18	,	,	PUNCT
eurjchem-2480	239	19	and	and	CCONJ
eurjchem-2480	239	20	information	information	NOUN
eurjchem-2480	239	21	(	(	PUNCT
eurjchem-2480	239	22	laws	law	NOUN
eurjchem-2480	239	23	,	,	PUNCT
eurjchem-2480	239	24	many	many	ADJ
eurjchem-2480	239	25	in	in	ADP
eurjchem-2480	239	26	mathematical	mathematical	ADJ
eurjchem-2480	239	27	forms	form	NOUN
eurjchem-2480	239	28	)	)	PUNCT
eurjchem-2480	239	29	.	.	PUNCT
eurjchem-2480	240	1	the	the	DET
eurjchem-2480	240	2	rational	rational	ADJ
eurjchem-2480	240	3	and	and	CCONJ
eurjchem-2480	240	4	irrational	irrational	ADJ
eurjchem-2480	240	5	coordinates	coordinate	NOUN
eurjchem-2480	240	6	may	may	AUX
eurjchem-2480	240	7	have	have	VERB
eurjchem-2480	240	8	importance	importance	NOUN
eurjchem-2480	240	9	or	or	CCONJ
eurjchem-2480	240	10	consequence	consequence	NOUN
eurjchem-2480	240	11	in	in	ADP
eurjchem-2480	240	12	electromagnetic	electromagnetic	ADJ
eurjchem-2480	240	13	and	and	CCONJ
eurjchem-2480	240	14	gravitational	gravitational	ADJ
eurjchem-2480	240	15	wave	wave	NOUN
eurjchem-2480	240	16	propagation	propagation	NOUN
eurjchem-2480	240	17	and	and	CCONJ
eurjchem-2480	240	18	in	in	ADP
eurjchem-2480	240	19	the	the	DET
eurjchem-2480	240	20	explanation	explanation	NOUN
eurjchem-2480	240	21	of	of	ADP
eurjchem-2480	240	22	dark	dark	ADJ
eurjchem-2480	240	23	matter	matter	NOUN
eurjchem-2480	240	24	and	and	CCONJ
eurjchem-2480	240	25	energy	energy	NOUN
eurjchem-2480	240	26	;	;	PUNCT
eurjchem-2480	240	27	the	the	DET
eurjchem-2480	240	28	latter	latter	NOUN
eurjchem-2480	240	29	is	be	AUX
eurjchem-2480	240	30	present	present	ADJ
eurjchem-2480	240	31	everywhere	everywhere	ADV
eurjchem-2480	240	32	to	to	ADP
eurjchem-2480	240	33	our	our	PRON
eurjchem-2480	240	34	knowledge	knowledge	NOUN
eurjchem-2480	240	35	but	but	CCONJ
eurjchem-2480	240	36	difficult	difficult	ADJ
eurjchem-2480	240	37	to	to	PART
eurjchem-2480	240	38	detect	detect	VERB
eurjchem-2480	240	39	and	and	CCONJ
eurjchem-2480	240	40	explain	explain	VERB
eurjchem-2480	240	41	.	.	PUNCT
eurjchem-2480	241	1	for	for	ADP
eurjchem-2480	241	2	this	this	PRON
eurjchem-2480	241	3	,	,	PUNCT
eurjchem-2480	241	4	recall	recall	VERB
eurjchem-2480	241	5	that	that	SCONJ
eurjchem-2480	241	6	if	if	SCONJ
eurjchem-2480	241	7	the	the	DET
eurjchem-2480	241	8	genus	genus	NOUN
eurjchem-2480	241	9	(	(	PUNCT
eurjchem-2480	241	10	corresponding	correspond	VERB
eurjchem-2480	241	11	to	to	ADP
eurjchem-2480	241	12	powers	power	NOUN
eurjchem-2480	241	13	in	in	ADP
eurjchem-2480	241	14	their	their	PRON
eurjchem-2480	241	15	algebraic	algebraic	ADJ
eurjchem-2480	241	16	expression	expression	NOUN
eurjchem-2480	241	17	,	,	PUNCT
eurjchem-2480	241	18	see	see	VERB
eurjchem-2480	241	19	,	,	PUNCT
eurjchem-2480	241	20	e.g.	e.g.	ADV
eurjchem-2480	241	21	,	,	PUNCT
eurjchem-2480	241	22	equation	equation	NOUN
eurjchem-2480	241	23	2	2	NUM
eurjchem-2480	241	24	)	)	PUNCT
eurjchem-2480	241	25	of	of	ADP
eurjchem-2480	241	26	any	any	DET
eurjchem-2480	241	27	curve	curve	NOUN
eurjchem-2480	241	28	(	(	PUNCT
eurjchem-2480	241	29	as	as	ADP
eurjchem-2480	241	30	a	a	DET
eurjchem-2480	241	31	physical	physical	ADJ
eurjchem-2480	241	32	trajectory	trajectory	NOUN
eurjchem-2480	241	33	)	)	PUNCT
eurjchem-2480	241	34	greater	great	ADJ
eurjchem-2480	241	35	than	than	ADP
eurjchem-2480	241	36	1	1	NUM
eurjchem-2480	241	37	over	over	ADP
eurjchem-2480	241	38	the	the	DET
eurjchem-2480	241	39	field	field	NOUN
eurjchem-2480	241	40	of	of	ADP
eurjchem-2480	241	41	rational	rational	ADJ
eurjchem-2480	241	42	numbers	number	NOUN
eurjchem-2480	241	43	has	have	VERB
eurjchem-2480	241	44	only	only	ADV
eurjchem-2480	241	45	finitely	finitely	ADV
eurjchem-2480	241	46	many	many	ADJ
eurjchem-2480	241	47	rational	rational	ADJ
eurjchem-2480	241	48	points	point	NOUN
eurjchem-2480	241	49	.	.	PUNCT
eurjchem-2480	242	1	(	(	PUNCT
eurjchem-2480	242	2	the	the	DET
eurjchem-2480	242	3	genus	genus	NOUN
eurjchem-2480	242	4	of	of	ADP
eurjchem-2480	242	5	a	a	DET
eurjchem-2480	242	6	curve	curve	NOUN
eurjchem-2480	242	7	with	with	ADP
eurjchem-2480	242	8	degree	degree	NOUN
eurjchem-2480	242	9	n	n	NOUN
eurjchem-2480	242	10	is	be	AUX
eurjchem-2480	242	11	(	(	PUNCT
eurjchem-2480	242	12	n−1)(n−2)/2	n−1)(n−2)/2	ADJ
eurjchem-2480	242	13	;	;	PUNCT
eurjchem-2480	242	14	the	the	DET
eurjchem-2480	242	15	singularities	singularity	NOUN
eurjchem-2480	242	16	,	,	PUNCT
eurjchem-2480	242	17	for	for	ADP
eurjchem-2480	242	18	example	example	NOUN
eurjchem-2480	242	19	,	,	PUNCT
eurjchem-2480	242	20	the	the	DET
eurjchem-2480	242	21	crossing	crossing	NOUN
eurjchem-2480	242	22	point	point	NOUN
eurjchem-2480	242	23	in	in	ADP
eurjchem-2480	242	24	the	the	DET
eurjchem-2480	242	25	shape	shape	NOUN
eurjchem-2480	242	26	of	of	ADP
eurjchem-2480	242	27	number	number	NOUN
eurjchem-2480	242	28	8	8	NUM
eurjchem-2480	242	29	,	,	PUNCT
eurjchem-2480	242	30	even	even	ADV
eurjchem-2480	242	31	decrease	decrease	VERB
eurjchem-2480	242	32	this	this	DET
eurjchem-2480	242	33	value	value	NOUN
eurjchem-2480	242	34	.	.	PUNCT
eurjchem-2480	242	35	)	)	PUNCT
eurjchem-2480	243	1	a	a	DET
eurjchem-2480	243	2	linear	linear	ADJ
eurjchem-2480	243	3	function	function	NOUN
eurjchem-2480	243	4	passes	pass	VERB
eurjchem-2480	243	5	through	through	ADP
eurjchem-2480	243	6	all	all	DET
eurjchem-2480	243	7	real	real	ADJ
eurjchem-2480	243	8	points	point	NOUN
eurjchem-2480	243	9	,	,	PUNCT
eurjchem-2480	243	10	but	but	CCONJ
eurjchem-2480	243	11	,	,	PUNCT
eurjchem-2480	243	12	for	for	ADP
eurjchem-2480	243	13	example	example	NOUN
eurjchem-2480	243	14	,	,	PUNCT
eurjchem-2480	243	15	the	the	DET
eurjchem-2480	243	16	only	only	ADJ
eurjchem-2480	243	17	pairs	pair	NOUN
eurjchem-2480	243	18	of	of	ADP
eurjchem-2480	243	19	rational	rational	ADJ
eurjchem-2480	243	20	numbers	number	NOUN
eurjchem-2480	243	21	on	on	ADP
eurjchem-2480	243	22	the	the	DET
eurjchem-2480	243	23	graph	graph	NOUN
eurjchem-2480	243	24	of	of	ADP
eurjchem-2480	243	25	the	the	DET
eurjchem-2480	243	26	simple	simple	ADJ
eurjchem-2480	243	27	y2=	y2=	NOUN
eurjchem-2480	243	28	x(x-1)(x+1	x(x-1)(x+1	PROPN
eurjchem-2480	243	29	)	)	PUNCT
eurjchem-2480	243	30	are	be	AUX
eurjchem-2480	243	31	the	the	DET
eurjchem-2480	243	32	points	point	NOUN
eurjchem-2480	243	33	(	(	PUNCT
eurjchem-2480	243	34	1	1	NUM
eurjchem-2480	243	35	,	,	PUNCT
eurjchem-2480	243	36	0	0	NUM
eurjchem-2480	243	37	)	)	PUNCT
eurjchem-2480	243	38	,	,	PUNCT
eurjchem-2480	243	39	(	(	PUNCT
eurjchem-2480	243	40	-1	-1	INTJ
eurjchem-2480	243	41	,	,	PUNCT
eurjchem-2480	243	42	0	0	NUM
eurjchem-2480	243	43	)	)	PUNCT
eurjchem-2480	243	44	,	,	PUNCT
eurjchem-2480	243	45	and	and	CCONJ
eurjchem-2480	243	46	(	(	PUNCT
eurjchem-2480	243	47	0	0	NUM
eurjchem-2480	243	48	,	,	PUNCT
eurjchem-2480	243	49	0	0	NUM
eurjchem-2480	243	50	)	)	PUNCT
eurjchem-2480	243	51	;	;	PUNCT
eurjchem-2480	243	52	otherwise	otherwise	ADV
eurjchem-2480	243	53	,	,	PUNCT
eurjchem-2480	243	54	it	it	PRON
eurjchem-2480	243	55	passes	pass	VERB
eurjchem-2480	243	56	through	through	ADP
eurjchem-2480	243	57	irrational	irrational	ADJ
eurjchem-2480	243	58	points	point	NOUN
eurjchem-2480	243	59	,	,	PUNCT
eurjchem-2480	243	60	and	and	CCONJ
eurjchem-2480	243	61	the	the	DET
eurjchem-2480	243	62	proof	proof	NOUN
eurjchem-2480	243	63	is	be	AUX
eurjchem-2480	243	64	elementary	elementary	ADJ
eurjchem-2480	243	65	.	.	PUNCT
eurjchem-2480	244	1	the	the	DET
eurjchem-2480	244	2	general	general	ADJ
eurjchem-2480	244	3	statement	statement	NOUN
eurjchem-2480	244	4	was	be	AUX
eurjchem-2480	244	5	conjectured	conjecture	VERB
eurjchem-2480	244	6	in	in	ADP
eurjchem-2480	244	7	1922	1922	NUM
eurjchem-2480	244	8	by	by	ADP
eurjchem-2480	244	9	l.	l.	PROPN
eurjchem-2480	244	10	mordell	mordell	PROPN
eurjchem-2480	245	1	[	[	X
eurjchem-2480	245	2	29	29	NUM
eurjchem-2480	245	3	]	]	PUNCT
eurjchem-2480	245	4	and	and	CCONJ
eurjchem-2480	245	5	proved	prove	VERB
eurjchem-2480	245	6	by	by	ADP
eurjchem-2480	245	7	g.	g.	NOUN
eurjchem-2480	245	8	faltings	falting	NOUN
eurjchem-2480	245	9	in	in	ADP
eurjchem-2480	245	10	1983	1983	NUM
eurjchem-2480	245	11	[	[	X
eurjchem-2480	245	12	30	30	NUM
eurjchem-2480	245	13	]	]	PUNCT
eurjchem-2480	245	14	.	.	PUNCT
eurjchem-2480	246	1	important	important	ADJ
eurjchem-2480	246	2	related	related	ADJ
eurjchem-2480	246	3	cases	case	NOUN
eurjchem-2480	246	4	are	be	AUX
eurjchem-2480	246	5	,	,	PUNCT
eurjchem-2480	246	6	e.g.	e.g.	ADV
eurjchem-2480	246	7	,	,	PUNCT
eurjchem-2480	246	8	the	the	DET
eurjchem-2480	246	9	trigonometric	trigonometric	ADJ
eurjchem-2480	246	10	sin	sin	NOUN
eurjchem-2480	246	11	function	function	NOUN
eurjchem-2480	246	12	(	(	PUNCT
eurjchem-2480	246	13	the	the	DET
eurjchem-2480	246	14	basic	basic	ADJ
eurjchem-2480	246	15	function	function	NOUN
eurjchem-2480	246	16	in	in	ADP
eurjchem-2480	246	17	wave	wave	NOUN
eurjchem-2480	246	18	theory	theory	NOUN
eurjchem-2480	246	19	;	;	PUNCT
eurjchem-2480	246	20	see	see	VERB
eurjchem-2480	246	21	niven	niven	PROPN
eurjchem-2480	246	22	’s	’s	PART
eurjchem-2480	246	23	theorem	theorem	NOUN
eurjchem-2480	246	24	stating	state	VERB
eurjchem-2480	246	25	rational	rational	ADJ
eurjchem-2480	246	26	values	value	NOUN
eurjchem-2480	246	27	are	be	AUX
eurjchem-2480	246	28	at	at	ADP
eurjchem-2480	246	29	0	0	NUM
eurjchem-2480	246	30	,	,	PUNCT
eurjchem-2480	246	31	30	30	NUM
eurjchem-2480	246	32	,	,	PUNCT
eurjchem-2480	246	33	and	and	CCONJ
eurjchem-2480	246	34	90	90	NUM
eurjchem-2480	246	35	°	°	NUM
eurjchem-2480	246	36	only	only	ADV
eurjchem-2480	246	37	)	)	PUNCT
eurjchem-2480	246	38	,	,	PUNCT
eurjchem-2480	246	39	gto	gto	PROPN
eurjchem-2480	246	40	and	and	CCONJ
eurjchem-2480	246	41	sto	sto	NOUN
eurjchem-2480	246	42	(	(	PUNCT
eurjchem-2480	246	43	see	see	VERB
eurjchem-2480	246	44	equation	equation	NOUN
eurjchem-2480	246	45	1	1	NUM
eurjchem-2480	246	46	at	at	ADP
eurjchem-2480	246	47	nodes	node	NOUN
eurjchem-2480	246	48	and	and	CCONJ
eurjchem-2480	246	49	at	at	ADP
eurjchem-2480	246	50	nuclei	nucleus	NOUN
eurjchem-2480	246	51	)	)	PUNCT
eurjchem-2480	246	52	,	,	PUNCT
eurjchem-2480	246	53	the	the	DET
eurjchem-2480	246	54	space	space	NOUN
eurjchem-2480	246	55	-	-	PUNCT
eurjchem-2480	246	56	time	time	NOUN
eurjchem-2480	246	57	distance	distance	NOUN
eurjchem-2480	246	58	of	of	ADP
eurjchem-2480	246	59	any	any	DET
eurjchem-2480	246	60	two	two	NUM
eurjchem-2480	246	61	points	point	NOUN
eurjchem-2480	246	62	in	in	ADP
eurjchem-2480	246	63	space	space	NOUN
eurjchem-2480	246	64	representing	represent	VERB
eurjchem-2480	246	65	two	two	NUM
eurjchem-2480	246	66	events	event	NOUN
eurjchem-2480	246	67	,	,	PUNCT
eurjchem-2480	246	68	i.e.	i.e.	X
eurjchem-2480	246	69	,	,	PUNCT
eurjchem-2480	246	70	the	the	DET
eurjchem-2480	246	71	invariant	invariant	ADJ
eurjchem-2480	246	72	x2+y2+z2+(ict)2	x2+y2+z2+(ict)2	PUNCT
eurjchem-2480	246	73	(	(	PUNCT
eurjchem-2480	246	74	with	with	ADP
eurjchem-2480	246	75	imaginary	imaginary	ADJ
eurjchem-2480	246	76	unit	unit	NOUN
eurjchem-2480	246	77	,	,	PUNCT
eurjchem-2480	246	78	or	or	CCONJ
eurjchem-2480	246	79	with	with	ADP
eurjchem-2480	246	80	quaternion	quaternion	NOUN
eurjchem-2480	246	81	unit	unit	NOUN
eurjchem-2480	246	82	the	the	DET
eurjchem-2480	246	83	alternative	alternative	ADJ
eurjchem-2480	246	84	(	(	PUNCT
eurjchem-2480	246	85	ix)2+(jy)2+(kz)2+(ct)2	ix)2+(jy)2+(kz)2+(ct)2	ADJ
eurjchem-2480	246	86	)	)	PUNCT
eurjchem-2480	246	87	,	,	PUNCT
eurjchem-2480	246	88	gravitational	gravitational	ADJ
eurjchem-2480	246	89	or	or	CCONJ
eurjchem-2480	246	90	electronic	electronic	ADJ
eurjchem-2480	246	91	potential	potential	ADJ
eurjchem-2480	246	92	proportional	proportional	NOUN
eurjchem-2480	246	93	to	to	PART
eurjchem-2480	246	94	(	(	PUNCT
eurjchem-2480	246	95	x2+y2+z2)-1/2	x2+y2+z2)-1/2	PROPN
eurjchem-2480	246	96	(	(	PUNCT
eurjchem-2480	246	97	see	see	VERB
eurjchem-2480	246	98	equation	equation	NOUN
eurjchem-2480	246	99	2	2	NUM
eurjchem-2480	246	100	)	)	PUNCT
eurjchem-2480	246	101	,	,	PUNCT
eurjchem-2480	246	102	etc	etc	X
eurjchem-2480	246	103	.	.	X
eurjchem-2480	246	104	,	,	PUNCT
eurjchem-2480	246	105	which	which	PRON
eurjchem-2480	246	106	obey	obey	VERB
eurjchem-2480	246	107	this	this	DET
eurjchem-2480	246	108	property	property	NOUN
eurjchem-2480	246	109	,	,	PUNCT
eurjchem-2480	246	110	that	that	ADV
eurjchem-2480	246	111	is	is	ADV
eurjchem-2480	246	112	,	,	PUNCT
eurjchem-2480	246	113	practically	practically	ADV
eurjchem-2480	246	114	the	the	DET
eurjchem-2480	246	115	irrational	irrational	ADJ
eurjchem-2480	246	116	points	point	NOUN
eurjchem-2480	246	117	are	be	AUX
eurjchem-2480	246	118	involved	involve	VERB
eurjchem-2480	246	119	in	in	ADP
eurjchem-2480	246	120	their	their	PRON
eurjchem-2480	246	121	graph	graph	NOUN
eurjchem-2480	246	122	or	or	CCONJ
eurjchem-2480	246	123	trajectory	trajectory	NOUN
eurjchem-2480	246	124	if	if	SCONJ
eurjchem-2480	246	125	the	the	DET
eurjchem-2480	246	126	powers	power	NOUN
eurjchem-2480	246	127	(	(	PUNCT
eurjchem-2480	246	128	genus	genus	PROPN
eurjchem-2480	246	129	)	)	PUNCT
eurjchem-2480	246	130	are	be	AUX
eurjchem-2480	246	131	higher	high	ADJ
eurjchem-2480	246	132	.	.	PUNCT
eurjchem-2480	247	1	5	5	X
eurjchem-2480	247	2	.	.	X
eurjchem-2480	247	3	conclusions	conclusion	NOUN
eurjchem-2480	247	4	the	the	DET
eurjchem-2480	247	5	wider	wide	ADJ
eurjchem-2480	247	6	domain	domain	NOUN
eurjchem-2480	247	7	of	of	ADP
eurjchem-2480	247	8	coulomb	coulomb	NOUN
eurjchem-2480	247	9	integrands	integrand	NOUN
eurjchem-2480	247	10	and	and	CCONJ
eurjchem-2480	247	11	their	their	PRON
eurjchem-2480	247	12	analytical	analytical	ADJ
eurjchem-2480	247	13	and	and	CCONJ
eurjchem-2480	247	14	numerical	numerical	ADJ
eurjchem-2480	247	15	integrations	integration	NOUN
eurjchem-2480	247	16	have	have	AUX
eurjchem-2480	247	17	been	be	AUX
eurjchem-2480	247	18	discussed	discuss	VERB
eurjchem-2480	247	19	and	and	CCONJ
eurjchem-2480	247	20	demonstrated	demonstrate	VERB
eurjchem-2480	247	21	for	for	ADP
eurjchem-2480	247	22	more	more	ADV
eurjchem-2480	247	23	effective	effective	ADJ
eurjchem-2480	247	24	applications	application	NOUN
eurjchem-2480	247	25	in	in	ADP
eurjchem-2480	247	26	quantum	quantum	ADJ
eurjchem-2480	247	27	chemical	chemical	NOUN
eurjchem-2480	247	28	calculations	calculation	NOUN
eurjchem-2480	247	29	.	.	PUNCT
eurjchem-2480	248	1	these	these	PRON
eurjchem-2480	248	2	are	be	AUX
eurjchem-2480	248	3	useful	useful	ADJ
eurjchem-2480	248	4	in	in	ADP
eurjchem-2480	248	5	correlation	correlation	NOUN
eurjchem-2480	248	6	calculations	calculation	NOUN
eurjchem-2480	248	7	to	to	PART
eurjchem-2480	248	8	evaluate	evaluate	VERB
eurjchem-2480	248	9	the	the	DET
eurjchem-2480	248	10	twoto	twoto	ADJ
eurjchem-2480	248	11	three	three	NUM
eurjchem-2480	248	12	-	-	PUNCT
eurjchem-2480	248	13	electron	electron	NOUN
eurjchem-2480	248	14	integrals	integral	NOUN
eurjchem-2480	248	15	more	more	ADV
eurjchem-2480	248	16	accurately	accurately	ADV
eurjchem-2480	248	17	and	and	CCONJ
eurjchem-2480	248	18	more	more	ADV
eurjchem-2480	248	19	rapidly	rapidly	ADV
eurjchem-2480	248	20	.	.	PUNCT
eurjchem-2480	249	1	the	the	DET
eurjchem-2480	249	2	power	power	NOUN
eurjchem-2480	249	3	and	and	CCONJ
eurjchem-2480	249	4	flexibility	flexibility	NOUN
eurjchem-2480	249	5	of	of	ADP
eurjchem-2480	249	6	the	the	DET
eurjchem-2480	249	7	distance	distance	NOUN
eurjchem-2480	249	8	operator	operator	NOUN
eurjchem-2480	249	9	r12x	r12x	NOUN
eurjchem-2480	249	10	with	with	ADP
eurjchem-2480	249	11	a	a	DET
eurjchem-2480	249	12	real	real	ADJ
eurjchem-2480	249	13	value	value	NOUN
eurjchem-2480	249	14	x	x	PUNCT
eurjchem-2480	249	15	around	around	ADP
eurjchem-2480	249	16	unity	unity	NOUN
eurjchem-2480	249	17	have	have	AUX
eurjchem-2480	249	18	also	also	ADV
eurjchem-2480	249	19	been	be	AUX
eurjchem-2480	249	20	demonstrated	demonstrate	VERB
eurjchem-2480	249	21	.	.	PUNCT
eurjchem-2480	250	1	appendix	appendix	NOUN
eurjchem-2480	250	2	appendix	appendix	VERB
eurjchem-2480	250	3	1	1	NUM
eurjchem-2480	250	4	the	the	DET
eurjchem-2480	250	5	two	two	NUM
eurjchem-2480	250	6	-	-	PUNCT
eurjchem-2480	250	7	dimensional	dimensional	ADJ
eurjchem-2480	250	8	boys	boy	NOUN
eurjchem-2480	250	9	function	function	VERB
eurjchem-2480	250	10	,	,	PUNCT
eurjchem-2480	250	11	its	its	PRON
eurjchem-2480	250	12	preequation	preequation	NOUN
eurjchem-2480	250	13	,	,	PUNCT
eurjchem-2480	250	14	and	and	CCONJ
eurjchem-2480	250	15	its	its	PRON
eurjchem-2480	250	16	integration	integration	NOUN
eurjchem-2480	250	17	are	be	AUX
eurjchem-2480	250	18	commented	comment	VERB
eurjchem-2480	250	19	on	on	ADP
eurjchem-2480	250	20	next	next	ADV
eurjchem-2480	250	21	.	.	PUNCT
eurjchem-2480	251	1	the	the	DET
eurjchem-2480	251	2	one	one	NUM
eurjchem-2480	251	3	-	-	PUNCT
eurjchem-2480	251	4	dimensional	dimensional	ADJ
eurjchem-2480	251	5	boys	boy	NOUN
eurjchem-2480	251	6	function	function	VERB
eurjchem-2480	251	7	f0	f0	PROPN
eurjchem-2480	251	8	via	via	ADP
eurjchem-2480	251	9	the	the	DET
eurjchem-2480	251	10	term	term	NOUN
eurjchem-2480	251	11	g-3/2exp(-f	g-3/2exp(-f	NOUN
eurjchem-2480	251	12	/	/	SYM
eurjchem-2480	251	13	g	g	NOUN
eurjchem-2480	251	14	)	)	PUNCT
eurjchem-2480	251	15	in	in	ADP
eurjchem-2480	251	16	the	the	DET
eurjchem-2480	251	17	integrand	integrand	NOUN
eurjchem-2480	251	18	is	be	AUX
eurjchem-2480	251	19	in	in	ADP
eurjchem-2480	251	20	the	the	DET
eurjchem-2480	251	21	preequations	preequation	NOUN
eurjchem-2480	251	22	equation	equation	NOUN
eurjchem-2480	251	23	3	3	X
eurjchem-2480	251	24	.	.	PUNCT
eurjchem-2480	252	1	in	in	ADP
eurjchem-2480	252	2	the	the	DET
eurjchem-2480	252	3	middle	middle	ADJ
eurjchem-2480	252	4	stage	stage	NOUN
eurjchem-2480	252	5	of	of	ADP
eurjchem-2480	252	6	the	the	DET
eurjchem-2480	252	7	deduction	deduction	NOUN
eurjchem-2480	252	8	,	,	PUNCT
eurjchem-2480	252	9	for	for	ADP
eurjchem-2480	252	10	example	example	NOUN
eurjchem-2480	252	11	,	,	PUNCT
eurjchem-2480	252	12	in	in	ADP
eurjchem-2480	252	13	equation	equation	NOUN
eurjchem-2480	252	14	3	3	NUM
eurjchem-2480	252	15	,	,	PUNCT
eurjchem-2480	252	16	the	the	DET
eurjchem-2480	252	17	vp	vp	PROPN
eurjchem-2480	252	18	,	,	PUNCT
eurjchem-2480	252	19	c(2	c(2	PROPN
eurjchem-2480	252	20	)	)	PUNCT
eurjchem-2480	252	21	=	=	SYM
eurjchem-2480	253	1	π3/2∫(-∞,0)g-3/2exp(f	π3/2∫(-∞,0)g-3/2exp(f	PROPN
eurjchem-2480	253	2	/	/	SYM
eurjchem-2480	253	3	g)dt	g)dt	PROPN
eurjchem-2480	253	4	with	with	ADP
eurjchem-2480	253	5	f≡	f≡	X
eurjchem-2480	253	6	prcp2	prcp2	PROPN
eurjchem-2480	253	7	t	t	PROPN
eurjchem-2480	253	8	and	and	CCONJ
eurjchem-2480	253	9	g≡	g≡	VERB
eurjchem-2480	253	10	p	p	NOUN
eurjchem-2480	253	11	-	-	PUNCT
eurjchem-2480	253	12	t	t	NOUN
eurjchem-2480	253	13	comes	come	VERB
eurjchem-2480	253	14	up	up	ADP
eurjchem-2480	253	15	.	.	PUNCT
eurjchem-2480	254	1	in	in	ADP
eurjchem-2480	254	2	the	the	DET
eurjchem-2480	254	3	two	two	NUM
eurjchem-2480	254	4	-	-	PUNCT
eurjchem-2480	254	5	dimensional	dimensional	ADJ
eurjchem-2480	254	6	case	case	NOUN
eurjchem-2480	254	7	,	,	PUNCT
eurjchem-2480	254	8	the	the	DET
eurjchem-2480	254	9	same	same	ADJ
eurjchem-2480	254	10	term	term	NOUN
eurjchem-2480	254	11	appears	appear	VERB
eurjchem-2480	254	12	in	in	ADP
eurjchem-2480	254	13	the	the	DET
eurjchem-2480	254	14	integrand	integrand	NOUN
eurjchem-2480	254	15	,	,	PUNCT
eurjchem-2480	254	16	but	but	CCONJ
eurjchem-2480	254	17	instead	instead	ADV
eurjchem-2480	254	18	of	of	ADP
eurjchem-2480	254	19	the	the	DET
eurjchem-2480	254	20	function	function	NOUN
eurjchem-2480	254	21	set	set	NOUN
eurjchem-2480	254	22	{	{	PUNCT
eurjchem-2480	254	23	f(t	f(t	PROPN
eurjchem-2480	254	24	)	)	PUNCT
eurjchem-2480	254	25	,	,	PUNCT
eurjchem-2480	254	26	g(t	g(t	PROPN
eurjchem-2480	254	27	)	)	PUNCT
eurjchem-2480	254	28	}	}	PUNCT
eurjchem-2480	254	29	,	,	PUNCT
eurjchem-2480	254	30	the	the	DET
eurjchem-2480	254	31	{	{	PUNCT
eurjchem-2480	254	32	f(u	f(u	PROPN
eurjchem-2480	254	33	,	,	PUNCT
eurjchem-2480	254	34	t	t	PROPN
eurjchem-2480	254	35	)	)	PUNCT
eurjchem-2480	254	36	,	,	PUNCT
eurjchem-2480	254	37	g(u	g(u	PROPN
eurjchem-2480	254	38	,	,	PUNCT
eurjchem-2480	254	39	t	t	PROPN
eurjchem-2480	254	40	)	)	PUNCT
eurjchem-2480	254	41	}	}	PUNCT
eurjchem-2480	254	42	is	be	AUX
eurjchem-2480	254	43	present	present	ADJ
eurjchem-2480	254	44	;	;	PUNCT
eurjchem-2480	254	45	see	see	VERB
eurjchem-2480	254	46	equations	equation	NOUN
eurjchem-2480	254	47	4	4	NUM
eurjchem-2480	254	48	,	,	PUNCT
eurjchem-2480	254	49	7	7	NUM
eurjchem-2480	254	50	,	,	PUNCT
eurjchem-2480	254	51	11	11	NUM
eurjchem-2480	254	52	.	.	PUNCT
eurjchem-2480	255	1	the	the	DET
eurjchem-2480	255	2	right	right	ADJ
eurjchem-2480	255	3	-	-	PUNCT
eurjchem-2480	255	4	hand	hand	NOUN
eurjchem-2480	255	5	side	side	NOUN
eurjchem-2480	255	6	of	of	ADP
eurjchem-2480	255	7	equations	equation	NOUN
eurjchem-2480	255	8	8	8	NUM
eurjchem-2480	255	9	and	and	CCONJ
eurjchem-2480	255	10	12	12	NUM
eurjchem-2480	255	11	with	with	ADP
eurjchem-2480	255	12	the	the	DET
eurjchem-2480	255	13	one	one	NUM
eurjchem-2480	255	14	-	-	PUNCT
eurjchem-2480	255	15	dimensional	dimensional	ADJ
eurjchem-2480	255	16	boys	boy	NOUN
eurjchem-2480	255	17	function	function	VERB
eurjchem-2480	255	18	in	in	ADP
eurjchem-2480	255	19	its	its	PRON
eurjchem-2480	255	20	integrand	integrand	NOUN
eurjchem-2480	255	21	is	be	AUX
eurjchem-2480	255	22	the	the	DET
eurjchem-2480	255	23	two	two	NUM
eurjchem-2480	255	24	-	-	PUNCT
eurjchem-2480	255	25	dimensional	dimensional	ADJ
eurjchem-2480	255	26	boys	boy	NOUN
eurjchem-2480	255	27	function	function	VERB
eurjchem-2480	255	28	.	.	PUNCT
eurjchem-2480	256	1	the	the	DET
eurjchem-2480	256	2	g-3/2exp(f	g-3/2exp(f	PROPN
eurjchem-2480	256	3	/	/	SYM
eurjchem-2480	256	4	g	g	PROPN
eurjchem-2480	256	5	)	)	PUNCT
eurjchem-2480	256	6	is	be	AUX
eurjchem-2480	256	7	the	the	DET
eurjchem-2480	256	8	core	core	ADJ
eurjchem-2480	256	9	part	part	NOUN
eurjchem-2480	256	10	of	of	ADP
eurjchem-2480	256	11	the	the	DET
eurjchem-2480	256	12	integrands	integrand	NOUN
eurjchem-2480	256	13	in	in	ADP
eurjchem-2480	256	14	all	all	DET
eurjchem-2480	256	15	these	these	DET
eurjchem-2480	256	16	cases	case	NOUN
eurjchem-2480	256	17	.	.	PUNCT
eurjchem-2480	257	1	a	a	DET
eurjchem-2480	257	2	finer	fine	ADJ
eurjchem-2480	257	3	property	property	NOUN
eurjchem-2480	257	4	is	be	AUX
eurjchem-2480	257	5	that	that	PRON
eurjchem-2480	257	6	f	f	PROPN
eurjchem-2480	257	7	=	=	SYM
eurjchem-2480	257	8	f((-u)k,(-t)l	f((-u)k,(-t)l	PROPN
eurjchem-2480	257	9	)	)	PUNCT
eurjchem-2480	257	10	and	and	CCONJ
eurjchem-2480	257	11	g	g	NOUN
eurjchem-2480	257	12	=	=	PUNCT
eurjchem-2480	257	13	g((-u)k,(-t)l	g((-u)k,(-t)l	NOUN
eurjchem-2480	257	14	)	)	PUNCT
eurjchem-2480	257	15	are	be	AUX
eurjchem-2480	257	16	2nd	2nd	ADJ
eurjchem-2480	257	17	and	and	CCONJ
eurjchem-2480	257	18	1st	1st	ADJ
eurjchem-2480	257	19	order	order	NOUN
eurjchem-2480	257	20	polynomials	polynomial	NOUN
eurjchem-2480	257	21	in	in	ADP
eurjchem-2480	257	22	the	the	DET
eurjchem-2480	257	23	variables	variable	NOUN
eurjchem-2480	257	24	(	(	PUNCT
eurjchem-2480	257	25	-u)k	-u)k	ADJ
eurjchem-2480	257	26	and	and	CCONJ
eurjchem-2480	257	27	(	(	PUNCT
eurjchem-2480	257	28	-t)l	-t)l	NOUN
eurjchem-2480	257	29	,	,	PUNCT
eurjchem-2480	257	30	respectively	respectively	ADV
eurjchem-2480	257	31	,	,	PUNCT
eurjchem-2480	257	32	with	with	ADP
eurjchem-2480	257	33	k	k	PROPN
eurjchem-2480	257	34	,	,	PUNCT
eurjchem-2480	257	35	l	l	NOUN
eurjchem-2480	257	36	=	=	SYM
eurjchem-2480	257	37	1	1	NUM
eurjchem-2480	257	38	or	or	CCONJ
eurjchem-2480	257	39	2	2	NUM
eurjchem-2480	257	40	.	.	PUNCT
eurjchem-2480	258	1	the	the	DET
eurjchem-2480	258	2	-u	-u	PROPN
eurjchem-2480	258	3	→	→	SYM
eurjchem-2480	258	4	u	u	NOUN
eurjchem-2480	258	5	and	and	CCONJ
eurjchem-2480	258	6	-t	-t	PUNCT
eurjchem-2480	258	7	→	→	SYM
eurjchem-2480	258	8	t	t	NOUN
eurjchem-2480	258	9	transformations	transformation	NOUN
eurjchem-2480	258	10	can	can	AUX
eurjchem-2480	258	11	also	also	ADV
eurjchem-2480	258	12	be	be	AUX
eurjchem-2480	258	13	used	use	VERB
eurjchem-2480	258	14	.	.	PUNCT
eurjchem-2480	259	1	the	the	DET
eurjchem-2480	259	2	k	k	NOUN
eurjchem-2480	259	3	,	,	PUNCT
eurjchem-2480	259	4	l	l	NOUN
eurjchem-2480	259	5	=	=	SYM
eurjchem-2480	259	6	1	1	NUM
eurjchem-2480	259	7	generates	generate	VERB
eurjchem-2480	259	8	exp(w2	exp(w2	NOUN
eurjchem-2480	259	9	)	)	PUNCT
eurjchem-2480	259	10	,	,	PUNCT
eurjchem-2480	259	11	while	while	SCONJ
eurjchem-2480	259	12	the	the	DET
eurjchem-2480	259	13	l	l	NOUN
eurjchem-2480	259	14	=	=	SYM
eurjchem-2480	259	15	2	2	NUM
eurjchem-2480	259	16	generates	generate	VERB
eurjchem-2480	259	17	exp(-w2	exp(-w2	NOUN
eurjchem-2480	259	18	)	)	PUNCT
eurjchem-2480	259	19	in	in	ADP
eurjchem-2480	259	20	the	the	DET
eurjchem-2480	259	21	integrand	integrand	NOUN
eurjchem-2480	259	22	.	.	PUNCT
eurjchem-2480	260	1	over	over	ADP
eurjchem-2480	260	2	a	a	DET
eurjchem-2480	260	3	finite	finite	ADJ
eurjchem-2480	260	4	domain	domain	NOUN
eurjchem-2480	260	5	,	,	PUNCT
eurjchem-2480	260	6	the	the	DET
eurjchem-2480	260	7	integral	integral	ADJ
eurjchem-2480	260	8	of	of	ADP
eurjchem-2480	260	9	exp(w2	exp(w2	NOUN
eurjchem-2480	260	10	)	)	PUNCT
eurjchem-2480	260	11	is	be	AUX
eurjchem-2480	260	12	finite	finite	ADJ
eurjchem-2480	260	13	.	.	PUNCT
eurjchem-2480	261	1	appendix	appendix	NOUN
eurjchem-2480	261	2	2	2	NUM
eurjchem-2480	261	3	in	in	ADP
eurjchem-2480	261	4	relation	relation	NOUN
eurjchem-2480	261	5	to	to	ADP
eurjchem-2480	261	6	analytical	analytical	ADJ
eurjchem-2480	261	7	vs.	vs.	PROPN
eurjchem-2480	261	8	numerical	numerical	ADJ
eurjchem-2480	261	9	integration	integration	NOUN
eurjchem-2480	261	10	,	,	PUNCT
eurjchem-2480	261	11	we	we	PRON
eurjchem-2480	261	12	mention	mention	VERB
eurjchem-2480	261	13	that	that	SCONJ
eurjchem-2480	261	14	the	the	DET
eurjchem-2480	261	15	coulomb	coulomb	NOUN
eurjchem-2480	261	16	energies	energy	NOUN
eurjchem-2480	261	17	between	between	ADP
eurjchem-2480	261	18	nuclei	nucleus	NOUN
eurjchem-2480	261	19	(	(	PUNCT
eurjchem-2480	261	20	with	with	ADP
eurjchem-2480	261	21	index	index	NOUN
eurjchem-2480	261	22	n	n	CCONJ
eurjchem-2480	261	23	)	)	PUNCT
eurjchem-2480	261	24	and	and	CCONJ
eurjchem-2480	261	25	electrons	electron	NOUN
eurjchem-2480	261	26	(	(	PUNCT
eurjchem-2480	261	27	with	with	ADP
eurjchem-2480	261	28	index	index	NOUN
eurjchem-2480	261	29	e	e	NOUN
eurjchem-2480	261	30	)	)	PUNCT
eurjchem-2480	261	31	with	with	ADP
eurjchem-2480	261	32	a	a	DET
eurjchem-2480	261	33	real	real	ADJ
eurjchem-2480	261	34	(	(	PUNCT
eurjchem-2480	261	35	i.e.	i.e.	X
eurjchem-2480	261	36	exact	exact	ADJ
eurjchem-2480	261	37	)	)	PUNCT
eurjchem-2480	261	38	oneelectron	oneelectron	ADJ
eurjchem-2480	261	39	density	density	NOUN
eurjchem-2480	261	40	,	,	PUNCT
eurjchem-2480	261	41	ρ(1)≥0	ρ(1)≥0	NOUN
eurjchem-2480	261	42	,	,	PUNCT
eurjchem-2480	261	43	are	be	AUX
eurjchem-2480	261	44	the	the	DET
eurjchem-2480	261	45	vne	vne	PROPN
eurjchem-2480	261	46	=	=	SYM
eurjchem-2480	261	47	n∑czc∫ρ(1)rc1	n∑czc∫ρ(1)rc1	NOUN
eurjchem-2480	261	48	-	-	NOUN
eurjchem-2480	261	49	1dr1	1dr1	NUM
eurjchem-2480	261	50	in	in	ADP
eurjchem-2480	261	51	hfscf	hfscf	PROPN
eurjchem-2480	261	52	,	,	PUNCT
eurjchem-2480	261	53	dft	dft	PROPN
eurjchem-2480	261	54	,	,	PUNCT
eurjchem-2480	261	55	etc	etc	X
eurjchem-2480	261	56	.	.	X
eurjchem-2480	261	57	,	,	PUNCT
eurjchem-2480	261	58	and	and	CCONJ
eurjchem-2480	261	59	vee≈	vee≈	NOUN
eurjchem-2480	261	60	½∫ρ(1)ρ(2)r12	½∫ρ(1)ρ(2)r12	ADJ
eurjchem-2480	261	61	-	-	PUNCT
eurjchem-2480	261	62	1dr1dr2	1dr1dr2	NUM
eurjchem-2480	261	63	in	in	ADP
eurjchem-2480	261	64	dft	dft	PROPN
eurjchem-2480	261	65	,	,	PUNCT
eurjchem-2480	261	66	for	for	ADP
eurjchem-2480	261	67	example	example	NOUN
eurjchem-2480	261	68	.	.	PUNCT
eurjchem-2480	262	1	different	different	ADJ
eurjchem-2480	262	2	theories	theory	NOUN
eurjchem-2480	262	3	use	use	VERB
eurjchem-2480	262	4	different	different	ADJ
eurjchem-2480	262	5	physically	physically	ADV
eurjchem-2480	262	6	realistic	realistic	ADJ
eurjchem-2480	262	7	ρmodel(1	ρmodel(1	NOUN
eurjchem-2480	262	8	)	)	PUNCT
eurjchem-2480	262	9	≥0	≥0	NOUN
eurjchem-2480	262	10	.	.	PUNCT
eurjchem-2480	263	1	the	the	DET
eurjchem-2480	263	2	hf	hf	PROPN
eurjchem-2480	263	3	-	-	PUNCT
eurjchem-2480	263	4	scf	scf	NOUN
eurjchem-2480	263	5	theory	theory	NOUN
eurjchem-2480	263	6	uses	use	VERB
eurjchem-2480	263	7	one	one	NUM
eurjchem-2480	263	8	real	real	ADV
eurjchem-2480	263	9	-	-	PUNCT
eurjchem-2480	263	10	valued	value	VERB
eurjchem-2480	263	11	energy	energy	NOUN
eurjchem-2480	263	12	optimized	optimize	VERB
eurjchem-2480	263	13	slater	slater	NOUN
eurjchem-2480	263	14	determinant	determinant	ADJ
eurjchem-2480	263	15	,	,	PUNCT
eurjchem-2480	263	16	s	s	PROPN
eurjchem-2480	263	17	,	,	PUNCT
eurjchem-2480	263	18	for	for	SCONJ
eurjchem-2480	263	19	the	the	DET
eurjchem-2480	263	20	ground	ground	NOUN
eurjchem-2480	263	21	state	state	NOUN
eurjchem-2480	263	22	to	to	PART
eurjchem-2480	263	23	approximate	approximate	VERB
eurjchem-2480	263	24	the	the	DET
eurjchem-2480	263	25	wave	wave	NOUN
eurjchem-2480	263	26	function	function	NOUN
eurjchem-2480	263	27	yielding	yield	VERB
eurjchem-2480	263	28	vne≈	vne≈	NOUN
eurjchem-2480	263	29	n∑czc∫s2rc1	n∑czc∫s2rc1	PROPN
eurjchem-2480	263	30	-	-	PUNCT
eurjchem-2480	263	31	1	1	NUM
eurjchem-2480	263	32	and	and	CCONJ
eurjchem-2480	263	33	vee	vee	PROPN
eurjchem-2480	263	34	≈	≈	PROPN
eurjchem-2480	263	35	(	(	PUNCT
eurjchem-2480	263	36	ν	ν	PROPN
eurjchem-2480	263	37	2)∫s2r12	2)∫s2r12	NUM
eurjchem-2480	263	38	-	-	SYM
eurjchem-2480	263	39	1	1	NUM
eurjchem-2480	263	40	,	,	PUNCT
eurjchem-2480	263	41	where	where	SCONJ
eurjchem-2480	263	42	the	the	DET
eurjchem-2480	263	43	integral	integral	NOUN
eurjchem-2480	263	44	is	be	AUX
eurjchem-2480	263	45	for	for	ADP
eurjchem-2480	263	46	n	n	CCONJ
eurjchem-2480	263	47	spin	spin	NOUN
eurjchem-2480	263	48	-	-	PUNCT
eurjchem-2480	263	49	orbit	orbit	NOUN
eurjchem-2480	263	50	full	full	ADJ
eurjchem-2480	263	51	space	space	NOUN
eurjchem-2480	263	52	dx1	dx1	PROPN
eurjchem-2480	263	53	…	…	PROPN
eurjchem-2480	263	54	,	,	PUNCT
eurjchem-2480	263	55	dxn	dxn	PROPN
eurjchem-2480	263	56	.	.	PUNCT
eurjchem-2480	263	57	similar	similar	ADJ
eurjchem-2480	263	58	expressions	expression	NOUN
eurjchem-2480	263	59	are	be	AUX
eurjchem-2480	263	60	used	use	VERB
eurjchem-2480	263	61	in	in	ADP
eurjchem-2480	263	62	configuration	configuration	NOUN
eurjchem-2480	263	63	interaction	interaction	NOUN
eurjchem-2480	263	64	(	(	PUNCT
eurjchem-2480	263	65	ci	ci	NOUN
eurjchem-2480	263	66	)	)	PUNCT
eurjchem-2480	263	67	methods	method	NOUN
eurjchem-2480	263	68	[	[	X
eurjchem-2480	263	69	5,19	5,19	X
eurjchem-2480	263	70	]	]	X
eurjchem-2480	263	71	for	for	ADP
eurjchem-2480	263	72	more	more	ADV
eurjchem-2480	263	73	accurate	accurate	ADJ
eurjchem-2480	263	74	ground	ground	NOUN
eurjchem-2480	263	75	and	and	CCONJ
eurjchem-2480	263	76	excited	excited	ADJ
eurjchem-2480	263	77	states	state	NOUN
eurjchem-2480	263	78	.	.	PUNCT
eurjchem-2480	264	1	the	the	DET
eurjchem-2480	264	2	ratio	ratio	NOUN
eurjchem-2480	264	3	holds	hold	VERB
eurjchem-2480	264	4	as	as	ADP
eurjchem-2480	264	5	(	(	PUNCT
eurjchem-2480	264	6	n2)∫s*sdx1	n2)∫s*sdx1	PROPN
eurjchem-2480	264	7	…	…	NUM
eurjchem-2480	264	8	,	,	PUNCT
eurjchem-2480	264	9	dxn/½∫ρ(1)ρ(2	dxn/½∫ρ(1)ρ(2	NOUN
eurjchem-2480	264	10	)	)	PUNCT
eurjchem-2480	264	11	dr1dr2	dr1dr2	NOUN
eurjchem-2480	264	12	=	=	NOUN
eurjchem-2480	264	13	(	(	PUNCT
eurjchem-2480	264	14	n-1)/n	n-1)/n	X
eurjchem-2480	264	15	→	→	SYM
eurjchem-2480	264	16	1	1	NUM
eurjchem-2480	264	17	if	if	SCONJ
eurjchem-2480	264	18	n	n	NOUN
eurjchem-2480	264	19	→	→	SYM
eurjchem-2480	264	20	∞.	∞.	PROPN
eurjchem-2480	264	21	in	in	ADP
eurjchem-2480	264	22	this	this	DET
eurjchem-2480	264	23	ratio	ratio	NOUN
eurjchem-2480	264	24	,	,	PUNCT
eurjchem-2480	264	25	if	if	SCONJ
eurjchem-2480	264	26	the	the	DET
eurjchem-2480	264	27	operator	operator	NOUN
eurjchem-2480	264	28	w	w	NOUN
eurjchem-2480	264	29	=	=	SYM
eurjchem-2480	264	30	r12	r12	PROPN
eurjchem-2480	264	31	-	-	PUNCT
eurjchem-2480	264	32	1	1	NUM
eurjchem-2480	264	33	is	be	AUX
eurjchem-2480	264	34	applied	apply	VERB
eurjchem-2480	264	35	to	to	ADP
eurjchem-2480	264	36	the	the	DET
eurjchem-2480	264	37	integrands	integrand	NOUN
eurjchem-2480	264	38	(	(	PUNCT
eurjchem-2480	264	39	for	for	ADP
eurjchem-2480	264	40	energy	energy	NOUN
eurjchem-2480	264	41	calculations	calculation	NOUN
eurjchem-2480	264	42	,	,	PUNCT
eurjchem-2480	264	43	which	which	PRON
eurjchem-2480	264	44	are	be	AUX
eurjchem-2480	264	45	physically	physically	ADV
eurjchem-2480	264	46	exact	exact	ADJ
eurjchem-2480	264	47	in	in	ADP
eurjchem-2480	264	48	the	the	DET
eurjchem-2480	264	49	nominator	nominator	NOUN
eurjchem-2480	264	50	)	)	PUNCT
eurjchem-2480	264	51	,	,	PUNCT
eurjchem-2480	264	52	a	a	DET
eurjchem-2480	264	53	'	'	PUNCT
eurjchem-2480	264	54	self	self	NOUN
eurjchem-2480	264	55	-	-	PUNCT
eurjchem-2480	264	56	interaction	interaction	NOUN
eurjchem-2480	264	57	'	'	PUNCT
eurjchem-2480	264	58	phenomenon	phenomenon	NOUN
eurjchem-2480	264	59	appears	appear	VERB
eurjchem-2480	264	60	in	in	ADP
eurjchem-2480	264	61	the	the	DET
eurjchem-2480	264	62	(	(	PUNCT
eurjchem-2480	264	63	approximate	approximate	ADJ
eurjchem-2480	264	64	)	)	PUNCT
eurjchem-2480	264	65	denominator	denominator	NOUN
eurjchem-2480	264	66	,	,	PUNCT
eurjchem-2480	264	67	which	which	PRON
eurjchem-2480	264	68	must	must	AUX
eurjchem-2480	264	69	be	be	AUX
eurjchem-2480	264	70	taken	take	VERB
eurjchem-2480	264	71	into	into	ADP
eurjchem-2480	264	72	account	account	NOUN
eurjchem-2480	264	73	in	in	ADP
eurjchem-2480	264	74	dft	dft	PROPN
eurjchem-2480	264	75	for	for	ADP
eurjchem-2480	264	76	the	the	DET
eurjchem-2480	264	77	ground	ground	NOUN
eurjchem-2480	264	78	state	state	NOUN
eurjchem-2480	264	79	.	.	PUNCT
eurjchem-2480	265	1	the	the	DET
eurjchem-2480	265	2	hf	hf	PROPN
eurjchem-2480	265	3	level	level	NOUN
eurjchem-2480	265	4	ground	ground	NOUN
eurjchem-2480	265	5	state	state	NOUN
eurjchem-2480	265	6	one	one	NUM
eurjchem-2480	265	7	-	-	PUNCT
eurjchem-2480	265	8	electron	electron	NOUN
eurjchem-2480	265	9	density	density	NOUN
eurjchem-2480	265	10	is	be	AUX
eurjchem-2480	265	11	ρhfscf(1)≡n∫s2ds1dx2	ρhfscf(1)≡n∫s2ds1dx2	NOUN
eurjchem-2480	265	12	…	…	SYM
eurjchem-2480	265	13	drn	drn	NOUN
eurjchem-2480	265	14	.	.	PUNCT
eurjchem-2480	266	1	as	as	ADP
eurjchem-2480	266	2	a	a	DET
eurjchem-2480	266	3	consequence	consequence	NOUN
eurjchem-2480	266	4	,	,	PUNCT
eurjchem-2480	266	5	the	the	DET
eurjchem-2480	266	6	vne	vne	PROPN
eurjchem-2480	266	7	and	and	CCONJ
eurjchem-2480	266	8	vee	vee	PROPN
eurjchem-2480	266	9	can	can	AUX
eurjchem-2480	266	10	be	be	AUX
eurjchem-2480	266	11	approximated	approximate	VERB
eurjchem-2480	266	12	with	with	ADP
eurjchem-2480	266	13	the	the	DET
eurjchem-2480	266	14	lc	lc	PROPN
eurjchem-2480	266	15	of	of	ADP
eurjchem-2480	266	16	gto	gto	PROPN
eurjchem-2480	266	17	functions	function	NOUN
eurjchem-2480	266	18	from	from	ADP
eurjchem-2480	266	19	equation	equation	NOUN
eurjchem-2480	266	20	1	1	NUM
eurjchem-2480	266	21	,	,	PUNCT
eurjchem-2480	266	22	and	and	CCONJ
eurjchem-2480	266	23	analytical	analytical	ADJ
eurjchem-2480	266	24	integration	integration	NOUN
eurjchem-2480	266	25	is	be	AUX
eurjchem-2480	266	26	available	available	ADJ
eurjchem-2480	266	27	.	.	PUNCT
eurjchem-2480	267	1	contrary	contrary	PROPN
eurjchem-2480	267	2	,	,	PUNCT
eurjchem-2480	267	3	the	the	DET
eurjchem-2480	267	4	very	very	ADV
eurjchem-2480	267	5	first	first	ADJ
eurjchem-2480	267	6	correlation	correlation	NOUN
eurjchem-2480	267	7	energies	energy	NOUN
eurjchem-2480	267	8	in	in	ADP
eurjchem-2480	267	9	the	the	DET
eurjchem-2480	267	10	history	history	NOUN
eurjchem-2480	267	11	of	of	ADP
eurjchem-2480	267	12	dft	dft	PROPN
eurjchem-2480	268	1	[	[	X
eurjchem-2480	268	2	1,2	1,2	NUM
eurjchem-2480	268	3	]	]	PUNCT
eurjchem-2480	268	4	using	use	VERB
eurjchem-2480	268	5	ρdft(1	ρdft(1	PROPN
eurjchem-2480	268	6	)	)	PUNCT
eurjchem-2480	268	7	to	to	PART
eurjchem-2480	268	8	approximate	approximate	VERB
eurjchem-2480	268	9	ρ(1	ρ(1	PROPN
eurjchem-2480	268	10	)	)	PUNCT
eurjchem-2480	268	11	,	,	PUNCT
eurjchem-2480	268	12	the	the	DET
eurjchem-2480	268	13	local	local	ADJ
eurjchem-2480	268	14	density	density	NOUN
eurjchem-2480	268	15	approximation	approximation	NOUN
eurjchem-2480	268	16	for	for	ADP
eurjchem-2480	268	17	exchange	exchange	NOUN
eurjchem-2480	268	18	energy	energy	NOUN
eurjchem-2480	268	19	(	(	PUNCT
eurjchem-2480	268	20	clda∫ρ(1)4/3dr1	clda∫ρ(1)4/3dr1	NOUN
eurjchem-2480	268	21	)	)	PUNCT
eurjchem-2480	268	22	,	,	PUNCT
eurjchem-2480	268	23	or	or	CCONJ
eurjchem-2480	268	24	the	the	DET
eurjchem-2480	268	25	improvement	improvement	NOUN
eurjchem-2480	268	26	of	of	ADP
eurjchem-2480	268	27	kinetic	kinetic	ADJ
eurjchem-2480	268	28	energy	energy	NOUN
eurjchem-2480	268	29	functional	functional	ADJ
eurjchem-2480	269	1	[	[	X
eurjchem-2480	269	2	25	25	NUM
eurjchem-2480	269	3	]	]	PUNCT
eurjchem-2480	269	4	by	by	ADP
eurjchem-2480	269	5	adding	add	VERB
eurjchem-2480	269	6	the	the	DET
eurjchem-2480	269	7	von	von	PROPN
eurjchem-2480	269	8	weizsäcker	weizsäcker	PROPN
eurjchem-2480	269	9	(	(	PUNCT
eurjchem-2480	269	10	1935	1935	NUM
eurjchem-2480	269	11	)	)	PUNCT
eurjchem-2480	270	1	[	[	X
eurjchem-2480	270	2	31	31	NUM
eurjchem-2480	270	3	]	]	SYM
eurjchem-2480	270	4	correction	correction	NOUN
eurjchem-2480	270	5	(	(	PUNCT
eurjchem-2480	270	6	cw∫|∇ρ(1)|2ρ(1)−1dr1	cw∫|∇ρ(1)|2ρ(1)−1dr1	PROPN
eurjchem-2480	270	7	)	)	PUNCT
eurjchem-2480	270	8	,	,	PUNCT
eurjchem-2480	270	9	along	along	ADP
eurjchem-2480	270	10	with	with	ADP
eurjchem-2480	270	11	the	the	DET
eurjchem-2480	270	12	later	later	ADJ
eurjchem-2480	270	13	and	and	CCONJ
eurjchem-2480	270	14	very	very	ADV
eurjchem-2480	270	15	advanced	advanced	ADJ
eurjchem-2480	270	16	exchange	exchange	NOUN
eurjchem-2480	270	17	-	-	PUNCT
eurjchem-2480	270	18	correlation	correlation	NOUN
eurjchem-2480	270	19	dft	dft	NOUN
eurjchem-2480	270	20	functional	functional	ADJ
eurjchem-2480	270	21	as	as	ADP
eurjchem-2480	270	22	exc[ρ(1	exc[ρ(1	PROPN
eurjchem-2480	270	23	)	)	PUNCT
eurjchem-2480	270	24	]	]	PUNCT
eurjchem-2480	271	1	=	=	PUNCT
eurjchem-2480	271	2	∫εxc(ρ(1))dr1	∫εxc(ρ(1))dr1	NOUN
eurjchem-2480	271	3	starting	start	VERB
eurjchem-2480	271	4	from	from	ADP
eurjchem-2480	271	5	gga	gga	PROPN
eurjchem-2480	271	6	(	(	PUNCT
eurjchem-2480	271	7	including	include	VERB
eurjchem-2480	271	8	the	the	DET
eurjchem-2480	271	9	ρdft	ρdft	NOUN
eurjchem-2480	271	10	and	and	CCONJ
eurjchem-2480	271	11	∇ρdft	∇ρdft	NOUN
eurjchem-2480	271	12	in	in	ADP
eurjchem-2480	271	13	the	the	DET
eurjchem-2480	271	14	exchange	exchange	NOUN
eurjchem-2480	271	15	-	-	PUNCT
eurjchem-2480	271	16	correlation	correlation	NOUN
eurjchem-2480	271	17	potential	potential	NOUN
eurjchem-2480	271	18	in	in	ADP
eurjchem-2480	271	19	εxc	εxc	PROPN
eurjchem-2480	271	20	)	)	PUNCT
eurjchem-2480	271	21	and	and	CCONJ
eurjchem-2480	271	22	its	its	PRON
eurjchem-2480	271	23	developed	develop	VERB
eurjchem-2480	271	24	meta	meta	ADJ
eurjchem-2480	271	25	-	-	PUNCT
eurjchem-2480	271	26	gga	gga	NOUN
eurjchem-2480	271	27	(	(	PUNCT
eurjchem-2480	271	28	including	include	VERB
eurjchem-2480	271	29	the	the	DET
eurjchem-2480	271	30	∇2ρdft	∇2ρdft	NOUN
eurjchem-2480	271	31	)	)	PUNCT
eurjchem-2480	271	32	,	,	PUNCT
eurjchem-2480	271	33	are	be	AUX
eurjchem-2480	271	34	not	not	PART
eurjchem-2480	271	35	lc	lc	NOUN
eurjchem-2480	271	36	of	of	ADP
eurjchem-2480	271	37	gto	gto	PROPN
eurjchem-2480	271	38	,	,	PUNCT
eurjchem-2480	271	39	and	and	CCONJ
eurjchem-2480	271	40	numerical	numerical	ADJ
eurjchem-2480	271	41	integration	integration	NOUN
eurjchem-2480	271	42	is	be	AUX
eurjchem-2480	271	43	necessary	necessary	ADJ
eurjchem-2480	271	44	.	.	PUNCT
eurjchem-2480	272	1	appendix	appendix	NOUN
eurjchem-2480	272	2	3	3	NUM
eurjchem-2480	272	3	an	an	DET
eurjchem-2480	272	4	elementary	elementary	ADJ
eurjchem-2480	272	5	demonstration	demonstration	NOUN
eurjchem-2480	272	6	of	of	ADP
eurjchem-2480	272	7	the	the	DET
eurjchem-2480	272	8	origin	origin	NOUN
eurjchem-2480	272	9	of	of	ADP
eurjchem-2480	272	10	the	the	DET
eurjchem-2480	272	11	correlation	correlation	NOUN
eurjchem-2480	272	12	effect	effect	NOUN
eurjchem-2480	272	13	as	as	SCONJ
eurjchem-2480	272	14	follows	follow	VERB
eurjchem-2480	272	15	:	:	PUNCT
eurjchem-2480	272	16	the	the	DET
eurjchem-2480	272	17	real	real	ADJ
eurjchem-2480	272	18	eigensolution	eigensolution	NOUN
eurjchem-2480	272	19	of	of	ADP
eurjchem-2480	272	20	operator	operator	NOUN
eurjchem-2480	272	21	-½(∇12+∇22	-½(∇12+∇22	PROPN
eurjchem-2480	272	22	)	)	PUNCT
eurjchem-2480	273	1	+	+	CCONJ
eurjchem-2480	273	2	r12	r12	NOUN
eurjchem-2480	273	3	-	-	PUNCT
eurjchem-2480	273	4	1	1	NUM
eurjchem-2480	273	5	for	for	ADP
eurjchem-2480	273	6	the	the	DET
eurjchem-2480	273	7	ground	ground	NOUN
eurjchem-2480	273	8	state	state	NOUN
eurjchem-2480	273	9	(	(	PUNCT
eurjchem-2480	273	10	two	two	NUM
eurjchem-2480	273	11	free	free	ADJ
eurjchem-2480	273	12	electrons	electron	NOUN
eurjchem-2480	273	13	)	)	PUNCT
eurjchem-2480	273	14	is	be	AUX
eurjchem-2480	273	15	eelectr,0	eelectr,0	ADJ
eurjchem-2480	273	16	=	=	PUNCT
eurjchem-2480	273	17	-1/4	-1/4	PUNCT
eurjchem-2480	273	18	and	and	CCONJ
eurjchem-2480	273	19	non	non	ADJ
eurjchem-2480	273	20	-	-	ADJ
eurjchem-2480	273	21	slater	slater	ADJ
eurjchem-2480	273	22	ψ0	ψ0	NOUN
eurjchem-2480	273	23	=	=	SYM
eurjchem-2480	273	24	s(1,2)exp(½r12	s(1,2)exp(½r12	PROPN
eurjchem-2480	273	25	)	)	PUNCT
eurjchem-2480	273	26	with	with	ADP
eurjchem-2480	273	27	spin	spin	NOUN
eurjchem-2480	273	28	function	function	NOUN
eurjchem-2480	273	29	s(1,2)≡	s(1,2)≡	NOUN
eurjchem-2480	273	30	(	(	PUNCT
eurjchem-2480	273	31	α1β2	α1β2	NOUN
eurjchem-2480	273	32	-	-	PUNCT
eurjchem-2480	273	33	α2β1	α2β1	NOUN
eurjchem-2480	273	34	)	)	PUNCT
eurjchem-2480	273	35	,	,	PUNCT
eurjchem-2480	273	36	while	while	SCONJ
eurjchem-2480	273	37	its	its	PRON
eurjchem-2480	273	38	hf	hf	PROPN
eurjchem-2480	273	39	approximation	approximation	NOUN
eurjchem-2480	273	40	would	would	AUX
eurjchem-2480	273	41	be	be	AUX
eurjchem-2480	273	42	the	the	DET
eurjchem-2480	273	43	slater	slater	NOUN
eurjchem-2480	273	44	determinant	determinant	ADJ
eurjchem-2480	273	45	s0=	s0=	PROPN
eurjchem-2480	273	46	s(1,2)exp(a(r12+r22	s(1,2)exp(a(r12+r22	NUM
eurjchem-2480	273	47	)	)	PUNCT
eurjchem-2480	273	48	)	)	PUNCT
eurjchem-2480	273	49	with	with	ADP
eurjchem-2480	273	50	energy	energy	NOUN
eurjchem-2480	273	51	optimized	optimize	VERB
eurjchem-2480	273	52	value	value	NOUN
eurjchem-2480	273	53	for	for	ADP
eurjchem-2480	273	54	a.	a.	NOUN
eurjchem-2480	273	55	(	(	PUNCT
eurjchem-2480	273	56	in	in	ADP
eurjchem-2480	273	57	this	this	DET
eurjchem-2480	273	58	case	case	NOUN
eurjchem-2480	273	59	,	,	PUNCT
eurjchem-2480	273	60	the	the	DET
eurjchem-2480	273	61	ψ0	ψ0	NOUN
eurjchem-2480	273	62	is	be	AUX
eurjchem-2480	273	63	not	not	PART
eurjchem-2480	273	64	well	well	ADV
eurjchem-2480	273	65	-	-	PUNCT
eurjchem-2480	273	66	behaved	behave	VERB
eurjchem-2480	273	67	!	!	PUNCT
eurjchem-2480	273	68	)	)	PUNCT
eurjchem-2480	274	1	492	492	NUM
eurjchem-2480	274	2	sandor	sandor	PROPN
eurjchem-2480	274	3	kristyan	kristyan	PROPN
eurjchem-2480	274	4	/	/	SYM
eurjchem-2480	274	5	european	european	PROPN
eurjchem-2480	274	6	journal	journal	PROPN
eurjchem-2480	274	7	of	of	ADP
eurjchem-2480	274	8	chemistry	chemistry	NOUN
eurjchem-2480	274	9	14	14	NUM
eurjchem-2480	274	10	(	(	PUNCT
eurjchem-2480	274	11	4	4	NUM
eurjchem-2480	274	12	)	)	PUNCT
eurjchem-2480	274	13	(	(	PUNCT
eurjchem-2480	274	14	2023	2023	NUM
eurjchem-2480	274	15	)	)	PUNCT
eurjchem-2480	274	16	486	486	NUM
eurjchem-2480	274	17	-	-	SYM
eurjchem-2480	274	18	493	493	NUM
eurjchem-2480	274	19	2023	2023	NUM
eurjchem-2480	274	20	–	–	PUNCT
eurjchem-2480	274	21	european	european	ADJ
eurjchem-2480	274	22	journal	journal	NOUN
eurjchem-2480	274	23	of	of	ADP
eurjchem-2480	274	24	chemistry	chemistry	NOUN
eurjchem-2480	274	25	–	–	PUNCT
eurjchem-2480	274	26	cc	cc	NOUN
eurjchem-2480	274	27	by	by	ADP
eurjchem-2480	274	28	nc	nc	PROPN
eurjchem-2480	274	29	–	–	PUNCT
eurjchem-2480	274	30	doi	doi	PROPN
eurjchem-2480	274	31	:	:	PUNCT
eurjchem-2480	274	32	10.5155	10.5155	NUM
eurjchem-2480	274	33	/	/	SYM
eurjchem-2480	274	34	eurjchem.14.4.486	eurjchem.14.4.486	NUM
eurjchem-2480	274	35	-	-	PUNCT
eurjchem-2480	274	36	493.2480	493.2480	NUM
eurjchem-2480	274	37	the	the	DET
eurjchem-2480	274	38	correlation	correlation	NOUN
eurjchem-2480	274	39	effect	effect	NOUN
eurjchem-2480	274	40	and	and	CCONJ
eurjchem-2480	274	41	basis	basis	NOUN
eurjchem-2480	274	42	set	set	NOUN
eurjchem-2480	274	43	(	(	PUNCT
eurjchem-2480	274	44	sto-1	sto-1	NOUN
eurjchem-2480	274	45	g	g	NOUN
eurjchem-2480	274	46	)	)	PUNCT
eurjchem-2480	274	47	error	error	NOUN
eurjchem-2480	274	48	come	come	VERB
eurjchem-2480	274	49	from	from	ADP
eurjchem-2480	274	50	the	the	DET
eurjchem-2480	274	51	difference	difference	NOUN
eurjchem-2480	274	52	between	between	ADP
eurjchem-2480	274	53	the	the	DET
eurjchem-2480	274	54	two	two	NUM
eurjchem-2480	274	55	.	.	PUNCT
eurjchem-2480	275	1	recall	recall	VERB
eurjchem-2480	275	2	that	that	SCONJ
eurjchem-2480	275	3	the	the	DET
eurjchem-2480	275	4	advanced	advanced	ADJ
eurjchem-2480	275	5	correlation	correlation	NOUN
eurjchem-2480	275	6	energy	energy	NOUN
eurjchem-2480	275	7	per	per	ADP
eurjchem-2480	275	8	electron	electron	NOUN
eurjchem-2480	275	9	has	have	AUX
eurjchem-2480	275	10	been	be	AUX
eurjchem-2480	275	11	predicted	predict	VERB
eurjchem-2480	275	12	using	use	VERB
eurjchem-2480	275	13	the	the	DET
eurjchem-2480	275	14	“	"	PUNCT
eurjchem-2480	275	15	three	three	NUM
eurjchem-2480	275	16	-	-	PUNCT
eurjchem-2480	275	17	dimensional	dimensional	ADJ
eurjchem-2480	275	18	uniform	uniform	ADJ
eurjchem-2480	275	19	electron	electron	NOUN
eurjchem-2480	275	20	gas	gas	NOUN
eurjchem-2480	275	21	”	"	PUNCT
eurjchem-2480	275	22	.	.	PUNCT
eurjchem-2480	276	1	furthermore	furthermore	ADV
eurjchem-2480	276	2	,	,	PUNCT
eurjchem-2480	276	3	the	the	DET
eurjchem-2480	276	4	real	real	ADJ
eurjchem-2480	276	5	eigensolution	eigensolution	NOUN
eurjchem-2480	276	6	of	of	ADP
eurjchem-2480	276	7	operator	operator	NOUN
eurjchem-2480	276	8	½(∇12+∇22	½(∇12+∇22	NOUN
eurjchem-2480	276	9	)	)	PUNCT
eurjchem-2480	276	10	-(ro1	-(ro1	NOUN
eurjchem-2480	276	11	-	-	PUNCT
eurjchem-2480	276	12	1+ro2	1+ro2	NUM
eurjchem-2480	276	13	-	-	PUNCT
eurjchem-2480	276	14	1	1	NUM
eurjchem-2480	276	15	)	)	PUNCT
eurjchem-2480	276	16	for	for	ADP
eurjchem-2480	276	17	the	the	DET
eurjchem-2480	276	18	ground	ground	NOUN
eurjchem-2480	276	19	state	state	NOUN
eurjchem-2480	276	20	(	(	PUNCT
eurjchem-2480	276	21	two	two	NUM
eurjchem-2480	276	22	electrons	electron	NOUN
eurjchem-2480	276	23	around	around	ADP
eurjchem-2480	276	24	a	a	DET
eurjchem-2480	276	25	proton	proton	NOUN
eurjchem-2480	276	26	in	in	ADP
eurjchem-2480	276	27	the	the	DET
eurjchem-2480	276	28	origin	origin	NOUN
eurjchem-2480	276	29	with	with	ADP
eurjchem-2480	276	30	a	a	DET
eurjchem-2480	276	31	hypothetical	hypothetical	ADJ
eurjchem-2480	276	32	neglect	neglect	NOUN
eurjchem-2480	276	33	of	of	ADP
eurjchem-2480	276	34	electron	electron	NOUN
eurjchem-2480	276	35	-	-	PUNCT
eurjchem-2480	276	36	electron	electron	NOUN
eurjchem-2480	276	37	interaction	interaction	NOUN
eurjchem-2480	276	38	)	)	PUNCT
eurjchem-2480	276	39	is	be	AUX
eurjchem-2480	276	40	eelectr,0	eelectr,0	ADJ
eurjchem-2480	276	41	=	=	SYM
eurjchem-2480	276	42	-1	-1	PUNCT
eurjchem-2480	276	43	and	and	CCONJ
eurjchem-2480	276	44	slater	slater	NOUN
eurjchem-2480	276	45	determinant	determinant	ADJ
eurjchem-2480	276	46	ψ0	ψ0	ADV
eurjchem-2480	276	47	=	=	SYM
eurjchem-2480	276	48	s(1,2)f1f2	s(1,2)f1f2	NOUN
eurjchem-2480	276	49	with	with	ADP
eurjchem-2480	276	50	orbitals	orbital	NOUN
eurjchem-2480	276	51	fi≡	fi≡	PROPN
eurjchem-2480	276	52	exp(-roi	exp(-roi	NOUN
eurjchem-2480	276	53	)	)	PUNCT
eurjchem-2480	276	54	and	and	CCONJ
eurjchem-2480	276	55	i	i	NOUN
eurjchem-2480	276	56	=	=	NOUN
eurjchem-2480	276	57	1	1	NUM
eurjchem-2480	276	58	,	,	PUNCT
eurjchem-2480	276	59	2	2	NUM
eurjchem-2480	276	60	.	.	PUNCT
eurjchem-2480	277	1	the	the	DET
eurjchem-2480	277	2	<	<	X
eurjchem-2480	277	3	f1f2|r12	f1f2|r12	PROPN
eurjchem-2480	277	4	-	-	PUNCT
eurjchem-2480	277	5	1f1f2	1f1f2	PROPN
eurjchem-2480	277	6	>	>	X
eurjchem-2480	277	7	/	/	SYM
eurjchem-2480	277	8	<	<	X
eurjchem-2480	277	9	f1f2|f1f2	f1f2|f1f2	X
eurjchem-2480	277	10	>	>	X
eurjchem-2480	277	11	=	=	PUNCT
eurjchem-2480	277	12	0.632432	0.632432	NUM
eurjchem-2480	277	13	is	be	AUX
eurjchem-2480	277	14	a	a	DET
eurjchem-2480	277	15	weak	weak	ADJ
eurjchem-2480	277	16	approximation	approximation	NOUN
eurjchem-2480	277	17	for	for	ADP
eurjchem-2480	277	18	vee	vee	PROPN
eurjchem-2480	277	19	.	.	PUNCT
eurjchem-2480	278	1	these	these	DET
eurjchem-2480	278	2	far	far	ADJ
eurjchem-2480	278	3	-	-	PUNCT
eurjchem-2480	278	4	form	form	NOUN
eurjchem-2480	278	5	energy	energy	NOUN
eurjchem-2480	278	6	optimized	optimize	VERB
eurjchem-2480	278	7	values	value	NOUN
eurjchem-2480	278	8	yield	yield	VERB
eurjchem-2480	278	9	a	a	DET
eurjchem-2480	278	10	total	total	ADJ
eurjchem-2480	278	11	ground	ground	NOUN
eurjchem-2480	278	12	state	state	NOUN
eurjchem-2480	278	13	energy	energy	NOUN
eurjchem-2480	278	14	of	of	ADP
eurjchem-2480	278	15	-1	-1	PROPN
eurjchem-2480	278	16	+	+	ADJ
eurjchem-2480	278	17	0.632432=	0.632432=	ADJ
eurjchem-2480	278	18	-0.367568	-0.367568	NOUN
eurjchem-2480	278	19	,	,	PUNCT
eurjchem-2480	278	20	a	a	DET
eurjchem-2480	278	21	variation	variation	NOUN
eurjchem-2480	278	22	value	value	NOUN
eurjchem-2480	278	23	in	in	ADP
eurjchem-2480	278	24	comparison	comparison	NOUN
eurjchem-2480	278	25	to	to	ADP
eurjchem-2480	278	26	the	the	DET
eurjchem-2480	278	27	ci	ci	NOUN
eurjchem-2480	278	28	value	value	NOUN
eurjchem-2480	278	29	of	of	ADP
eurjchem-2480	278	30	-0.527716	-0.527716	NOUN
eurjchem-2480	278	31	h	h	NOUN
eurjchem-2480	278	32	for	for	ADP
eurjchem-2480	278	33	hydrogen	hydrogen	NOUN
eurjchem-2480	278	34	anion	anion	NOUN
eurjchem-2480	278	35	.	.	PUNCT
eurjchem-2480	279	1	for	for	ADP
eurjchem-2480	279	2	h-	h-	NOUN
eurjchem-2480	279	3	,	,	PUNCT
eurjchem-2480	279	4	this	this	DET
eurjchem-2480	279	5	s(1,2)f1f2	s(1,2)f1f2	PROPN
eurjchem-2480	279	6	is	be	AUX
eurjchem-2480	279	7	not	not	PART
eurjchem-2480	279	8	an	an	DET
eurjchem-2480	279	9	accurate	accurate	ADJ
eurjchem-2480	279	10	ground	ground	NOUN
eurjchem-2480	279	11	state	state	NOUN
eurjchem-2480	279	12	wave	wave	NOUN
eurjchem-2480	279	13	function	function	NOUN
eurjchem-2480	279	14	,	,	PUNCT
eurjchem-2480	279	15	but	but	CCONJ
eurjchem-2480	279	16	,	,	PUNCT
eurjchem-2480	279	17	importantly	importantly	ADV
eurjchem-2480	279	18	,	,	PUNCT
eurjchem-2480	279	19	equation	equation	NOUN
eurjchem-2480	279	20	2	2	NUM
eurjchem-2480	279	21	can	can	AUX
eurjchem-2480	279	22	tune	tune	VERB
eurjchem-2480	279	23	even	even	ADV
eurjchem-2480	279	24	in	in	ADP
eurjchem-2480	279	25	this	this	DET
eurjchem-2480	279	26	primitive	primitive	ADJ
eurjchem-2480	279	27	algorithm	algorithm	NOUN
eurjchem-2480	279	28	.	.	PUNCT
eurjchem-2480	280	1	just	just	ADV
eurjchem-2480	280	2	for	for	ADP
eurjchem-2480	280	3	curiosity	curiosity	NOUN
eurjchem-2480	280	4	,	,	PUNCT
eurjchem-2480	280	5	the	the	DET
eurjchem-2480	280	6	real	real	ADJ
eurjchem-2480	280	7	eigensolution	eigensolution	NOUN
eurjchem-2480	280	8	of	of	ADP
eurjchem-2480	280	9	operator	operator	NOUN
eurjchem-2480	280	10	-½(∇12+∇22	-½(∇12+∇22	PROPN
eurjchem-2480	280	11	)	)	PUNCT
eurjchem-2480	280	12	+	+	CCONJ
eurjchem-2480	280	13	r122	r122	PROPN
eurjchem-2480	280	14	for	for	ADP
eurjchem-2480	280	15	the	the	DET
eurjchem-2480	280	16	ground	ground	NOUN
eurjchem-2480	280	17	state	state	NOUN
eurjchem-2480	280	18	is	be	AUX
eurjchem-2480	280	19	(	(	PUNCT
eurjchem-2480	280	20	3	3	NUM
eurjchem-2480	280	21	,	,	PUNCT
eurjchem-2480	280	22	exp(½r122	exp(½r122	PROPN
eurjchem-2480	280	23	)	)	PUNCT
eurjchem-2480	280	24	)	)	PUNCT
eurjchem-2480	280	25	,	,	PUNCT
eurjchem-2480	280	26	as	as	ADV
eurjchem-2480	280	27	well	well	ADV
eurjchem-2480	280	28	as	as	ADP
eurjchem-2480	280	29	of	of	ADP
eurjchem-2480	280	30	operator	operator	NOUN
eurjchem-2480	280	31	-½∇12	-½∇12	PUNCT
eurjchem-2480	281	1	+	+	CCONJ
eurjchem-2480	281	2	ro12	ro12	PROPN
eurjchem-2480	281	3	is	be	AUX
eurjchem-2480	281	4	(	(	PUNCT
eurjchem-2480	281	5	3(½)1/2	3(½)1/2	ADJ
eurjchem-2480	281	6	,	,	PUNCT
eurjchem-2480	281	7	exp((½)1/2ro12	exp((½)1/2ro12	NOUN
eurjchem-2480	281	8	)	)	PUNCT
eurjchem-2480	281	9	)	)	PUNCT
eurjchem-2480	281	10	.	.	PUNCT
eurjchem-2480	282	1	in	in	ADP
eurjchem-2480	282	2	the	the	DET
eurjchem-2480	282	3	latter	latter	ADJ
eurjchem-2480	282	4	,	,	PUNCT
eurjchem-2480	282	5	-ro1	-ro1	PROPN
eurjchem-2480	282	6	yields	yield	VERB
eurjchem-2480	282	7	a	a	DET
eurjchem-2480	282	8	complex	complex	ADJ
eurjchem-2480	282	9	solution	solution	NOUN
eurjchem-2480	282	10	,	,	PUNCT
eurjchem-2480	282	11	and	and	CCONJ
eurjchem-2480	282	12	in	in	ADP
eurjchem-2480	282	13	both	both	DET
eurjchem-2480	282	14	cases	case	NOUN
eurjchem-2480	282	15	the	the	DET
eurjchem-2480	282	16	eigenfunctions	eigenfunction	NOUN
eurjchem-2480	282	17	behave	behave	VERB
eurjchem-2480	282	18	well	well	ADV
eurjchem-2480	282	19	.	.	PUNCT
eurjchem-2480	283	1	the	the	DET
eurjchem-2480	283	2	polynomial	polynomial	ADJ
eurjchem-2480	283	3	multiplier	multiplier	NOUN
eurjchem-2480	283	4	of	of	ADP
eurjchem-2480	283	5	the	the	DET
eurjchem-2480	283	6	derivatives	derivative	NOUN
eurjchem-2480	283	7	of	of	ADP
eurjchem-2480	283	8	exponential	exponential	ADJ
eurjchem-2480	283	9	drops	drop	NOUN
eurjchem-2480	283	10	luckily	luckily	ADV
eurjchem-2480	283	11	at	at	ADP
eurjchem-2480	283	12	1	1	NUM
eurjchem-2480	283	13	/	/	SYM
eurjchem-2480	283	14	r	r	NOUN
eurjchem-2480	283	15	,	,	PUNCT
eurjchem-2480	283	16	1	1	NUM
eurjchem-2480	283	17	/	/	SYM
eurjchem-2480	283	18	r	r	NOUN
eurjchem-2480	283	19	,	,	PUNCT
eurjchem-2480	283	20	r2	r2	NOUN
eurjchem-2480	283	21	,	,	PUNCT
eurjchem-2480	283	22	and	and	CCONJ
eurjchem-2480	283	23	r2	r2	PROPN
eurjchem-2480	283	24	potentials	potential	VERB
eurjchem-2480	283	25	in	in	ADP
eurjchem-2480	283	26	this	this	DET
eurjchem-2480	283	27	way	way	NOUN
eurjchem-2480	283	28	,	,	PUNCT
eurjchem-2480	283	29	yielding	yield	VERB
eurjchem-2480	283	30	integer	integer	NOUN
eurjchem-2480	283	31	and	and	CCONJ
eurjchem-2480	283	32	halfinteger	halfinteger	NOUN
eurjchem-2480	283	33	constants	constant	NOUN
eurjchem-2480	283	34	.	.	PUNCT
eurjchem-2480	284	1	the	the	DET
eurjchem-2480	284	2	rx	rx	ADJ
eurjchem-2480	284	3	and	and	CCONJ
eurjchem-2480	284	4	rx	rx	VERB
eurjchem-2480	284	5	cases	case	NOUN
eurjchem-2480	284	6	for	for	ADP
eurjchem-2480	284	7	other	other	ADJ
eurjchem-2480	284	8	positive	positive	ADJ
eurjchem-2480	284	9	and	and	CCONJ
eurjchem-2480	284	10	negative	negative	ADJ
eurjchem-2480	284	11	real	real	ADJ
eurjchem-2480	284	12	x	x	NOUN
eurjchem-2480	284	13	values	value	NOUN
eurjchem-2480	284	14	possibly	possibly	ADV
eurjchem-2480	284	15	do	do	AUX
eurjchem-2480	284	16	not	not	PART
eurjchem-2480	284	17	have	have	VERB
eurjchem-2480	284	18	analytical	analytical	ADJ
eurjchem-2480	284	19	forms	form	NOUN
eurjchem-2480	284	20	.	.	PUNCT
eurjchem-2480	285	1	besides	besides	SCONJ
eurjchem-2480	285	2	the	the	DET
eurjchem-2480	285	3	fact	fact	NOUN
eurjchem-2480	285	4	that	that	SCONJ
eurjchem-2480	285	5	sto	sto	NOUN
eurjchem-2480	285	6	can	can	AUX
eurjchem-2480	285	7	be	be	AUX
eurjchem-2480	285	8	expanded	expand	VERB
eurjchem-2480	285	9	into	into	ADP
eurjchem-2480	285	10	the	the	DET
eurjchem-2480	285	11	lc	lc	NOUN
eurjchem-2480	285	12	of	of	ADP
eurjchem-2480	285	13	gto	gto	PROPN
eurjchem-2480	285	14	(	(	PUNCT
eurjchem-2480	285	15	the	the	DET
eurjchem-2480	285	16	simplest	simple	ADJ
eurjchem-2480	285	17	widely	widely	ADV
eurjchem-2480	285	18	used	use	VERB
eurjchem-2480	285	19	in	in	ADP
eurjchem-2480	285	20	practice	practice	NOUN
eurjchem-2480	285	21	is	be	AUX
eurjchem-2480	285	22	called	call	VERB
eurjchem-2480	285	23	sto-3	sto-3	NOUN
eurjchem-2480	285	24	g	g	NOUN
eurjchem-2480	285	25	)	)	PUNCT
eurjchem-2480	285	26	,	,	PUNCT
eurjchem-2480	285	27	it	it	PRON
eurjchem-2480	285	28	is	be	AUX
eurjchem-2480	285	29	remarkable	remarkable	ADJ
eurjchem-2480	285	30	from	from	ADP
eurjchem-2480	285	31	the	the	DET
eurjchem-2480	285	32	above	above	NOUN
eurjchem-2480	285	33	that	that	DET
eurjchem-2480	285	34	sto	sto	NOUN
eurjchem-2480	285	35	solves	solve	NOUN
eurjchem-2480	285	36	when	when	SCONJ
eurjchem-2480	285	37	coulomb	coulomb	NOUN
eurjchem-2480	285	38	potentials	potential	NOUN
eurjchem-2480	285	39	,	,	PUNCT
eurjchem-2480	285	40	1	1	NUM
eurjchem-2480	285	41	/	/	SYM
eurjchem-2480	285	42	r12	r12	NOUN
eurjchem-2480	285	43	or	or	CCONJ
eurjchem-2480	285	44	1	1	NUM
eurjchem-2480	285	45	/	/	SYM
eurjchem-2480	285	46	ro1	ro1	NOUN
eurjchem-2480	285	47	,	,	PUNCT
eurjchem-2480	285	48	are	be	AUX
eurjchem-2480	285	49	involved	involve	VERB
eurjchem-2480	285	50	,	,	PUNCT
eurjchem-2480	285	51	in	in	ADP
eurjchem-2480	285	52	contrast	contrast	NOUN
eurjchem-2480	285	53	to	to	ADP
eurjchem-2480	285	54	gto	gto	PROPN
eurjchem-2480	285	55	,	,	PUNCT
eurjchem-2480	285	56	which	which	PRON
eurjchem-2480	285	57	solves	solve	VERB
eurjchem-2480	285	58	when	when	SCONJ
eurjchem-2480	285	59	potentials	potential	VERB
eurjchem-2480	285	60	r122	r122	PROPN
eurjchem-2480	285	61	or	or	CCONJ
eurjchem-2480	285	62	ro12	ro12	PROPN
eurjchem-2480	285	63	are	be	AUX
eurjchem-2480	285	64	involved	involve	VERB
eurjchem-2480	285	65	.	.	PUNCT
eurjchem-2480	286	1	appendix	appendix	VERB
eurjchem-2480	286	2	4	4	NUM
eurjchem-2480	286	3	the	the	DET
eurjchem-2480	286	4	reason	reason	NOUN
eurjchem-2480	286	5	the	the	DET
eurjchem-2480	286	6	cc	cc	PROPN
eurjchem-2480	286	7	is	be	AUX
eurjchem-2480	286	8	necessary	necessary	ADJ
eurjchem-2480	286	9	is	be	AUX
eurjchem-2480	286	10	exampled	example	VERB
eurjchem-2480	286	11	on	on	ADP
eurjchem-2480	286	12	the	the	DET
eurjchem-2480	286	13	potassium	potassium	NOUN
eurjchem-2480	286	14	1st	1st	ADJ
eurjchem-2480	286	15	ionization	ionization	NOUN
eurjchem-2480	286	16	potential	potential	NOUN
eurjchem-2480	286	17	on	on	ADP
eurjchem-2480	286	18	hf	hf	PROPN
eurjchem-2480	286	19	-	-	PUNCT
eurjchem-2480	286	20	scf	scf	NOUN
eurjchem-2480	286	21	/	/	SYM
eurjchem-2480	286	22	basis	basis	NOUN
eurjchem-2480	286	23	level	level	NOUN
eurjchem-2480	286	24	[	[	X
eurjchem-2480	286	25	26	26	NUM
eurjchem-2480	286	26	]	]	PUNCT
eurjchem-2480	286	27	with	with	ADP
eurjchem-2480	286	28	the	the	DET
eurjchem-2480	286	29	good	good	ADJ
eurjchem-2480	286	30	p	p	ADJ
eurjchem-2480	286	31	-	-	PUNCT
eurjchem-2480	286	32	gchf-5z	gchf-5z	NOUN
eurjchem-2480	286	33	basis	basis	NOUN
eurjchem-2480	286	34	(	(	PUNCT
eurjchem-2480	286	35	za	za	PROPN
eurjchem-2480	286	36	=	=	SYM
eurjchem-2480	286	37	19	19	NUM
eurjchem-2480	286	38	and	and	CCONJ
eurjchem-2480	286	39	to	to	PART
eurjchem-2480	286	40	avoid	avoid	VERB
eurjchem-2480	286	41	zpe	zpe	PROPN
eurjchem-2480	286	42	,	,	PUNCT
eurjchem-2480	286	43	an	an	DET
eurjchem-2480	286	44	atom	atom	NOUN
eurjchem-2480	286	45	is	be	AUX
eurjchem-2480	286	46	chosen	choose	VERB
eurjchem-2480	286	47	):	):	PUNCT
eurjchem-2480	286	48	the	the	DET
eurjchem-2480	286	49	approximated	approximate	VERB
eurjchem-2480	286	50	ground	ground	NOUN
eurjchem-2480	286	51	-	-	PUNCT
eurjchem-2480	286	52	state	state	NOUN
eurjchem-2480	286	53	electronic	electronic	ADJ
eurjchem-2480	286	54	energy	energy	NOUN
eurjchem-2480	286	55	difference	difference	NOUN
eurjchem-2480	286	56	for	for	ADP
eurjchem-2480	286	57	ionization	ionization	NOUN
eurjchem-2480	286	58	k	k	PROPN
eurjchem-2480	286	59	→	→	PUNCT
eurjchem-2480	286	60	k+	k+	NOUN
eurjchem-2480	286	61	is	be	AUX
eurjchem-2480	286	62	-599.0171688	-599.0171688	NUM
eurjchem-2480	286	63	-(599.1646910	-(599.1646910	NOUN
eurjchem-2480	286	64	)	)	PUNCT
eurjchem-2480	287	1	=	=	NOUN
eurjchem-2480	287	2	0.1475222	0.1475222	NUM
eurjchem-2480	287	3	h	h	NOUN
eurjchem-2480	287	4	,	,	PUNCT
eurjchem-2480	287	5	the	the	DET
eurjchem-2480	287	6	experimental	experimental	ADJ
eurjchem-2480	287	7	ionization	ionization	NOUN
eurjchem-2480	287	8	potential	potential	NOUN
eurjchem-2480	287	9	is	be	AUX
eurjchem-2480	287	10	0.1595125	0.1595125	NUM
eurjchem-2480	287	11	h	h	NOUN
eurjchem-2480	288	1	≈	≈	NOUN
eurjchem-2480	288	2	100.1	100.1	NUM
eurjchem-2480	288	3	kcal	kcal	NOUN
eurjchem-2480	288	4	/	/	SYM
eurjchem-2480	288	5	mol	mol	PROPN
eurjchem-2480	288	6	,	,	PUNCT
eurjchem-2480	288	7	and	and	CCONJ
eurjchem-2480	288	8	the	the	DET
eurjchem-2480	288	9	error	error	NOUN
eurjchem-2480	288	10	is	be	AUX
eurjchem-2480	288	11	0.1595125	0.1595125	NUM
eurjchem-2480	288	12	0.1475222	0.1475222	NUM
eurjchem-2480	288	13	=	=	SYM
eurjchem-2480	289	1	0.0119903	0.0119903	NUM
eurjchem-2480	289	2	h	h	NOUN
eurjchem-2480	290	1	≈	≈	NOUN
eurjchem-2480	290	2	7.5	7.5	NUM
eurjchem-2480	290	3	kcal	kcal	NOUN
eurjchem-2480	290	4	/	/	SYM
eurjchem-2480	290	5	mol	mol	PROPN
eurjchem-2480	290	6	.	.	PUNCT
eurjchem-2480	291	1	it	it	PRON
eurjchem-2480	291	2	is	be	AUX
eurjchem-2480	291	3	a	a	DET
eurjchem-2480	291	4	good	good	ADJ
eurjchem-2480	291	5	example	example	NOUN
eurjchem-2480	291	6	to	to	PART
eurjchem-2480	291	7	represent	represent	VERB
eurjchem-2480	291	8	the	the	DET
eurjchem-2480	291	9	magnitude	magnitude	NOUN
eurjchem-2480	291	10	of	of	ADP
eurjchem-2480	291	11	values	value	NOUN
eurjchem-2480	291	12	,	,	PUNCT
eurjchem-2480	291	13	e.g.	e.g.	ADV
eurjchem-2480	291	14	,	,	PUNCT
eurjchem-2480	291	15	599.0	599.0	NUM
eurjchem-2480	291	16	vs.	vs.	ADP
eurjchem-2480	291	17	0.1595	0.1595	NUM
eurjchem-2480	291	18	(	(	PUNCT
eurjchem-2480	291	19	≈	≈	PROPN
eurjchem-2480	291	20	2.7	2.7	NUM
eurjchem-2480	291	21	%	%	NOUN
eurjchem-2480	291	22	)	)	PUNCT
eurjchem-2480	291	23	.	.	PUNCT
eurjchem-2480	292	1	the	the	DET
eurjchem-2480	292	2	hf	hf	PROPN
eurjchem-2480	292	3	-	-	PUNCT
eurjchem-2480	292	4	scf	scf	PROPN
eurjchem-2480	292	5	,	,	PUNCT
eurjchem-2480	292	6	post	post	ADJ
eurjchem-2480	292	7	-	-	ADJ
eurjchem-2480	292	8	hf	hf	ADJ
eurjchem-2480	292	9	-	-	PUNCT
eurjchem-2480	292	10	scf	scf	PROPN
eurjchem-2480	292	11	,	,	PUNCT
eurjchem-2480	292	12	dft	dft	PROPN
eurjchem-2480	292	13	,	,	PUNCT
eurjchem-2480	292	14	etc	etc	X
eurjchem-2480	292	15	.	.	X
eurjchem-2480	292	16	methods	method	NOUN
eurjchem-2480	292	17	yield	yield	VERB
eurjchem-2480	292	18	more	more	ADV
eurjchem-2480	292	19	accurate	accurate	ADJ
eurjchem-2480	292	20	results	result	NOUN
eurjchem-2480	292	21	for	for	ADP
eurjchem-2480	292	22	(	(	PUNCT
eurjchem-2480	292	23	the	the	DET
eurjchem-2480	292	24	most	most	ADV
eurjchem-2480	292	25	important	important	ADJ
eurjchem-2480	292	26	)	)	PUNCT
eurjchem-2480	292	27	energy	energy	NOUN
eurjchem-2480	292	28	differences	difference	NOUN
eurjchem-2480	292	29	than	than	ADP
eurjchem-2480	292	30	for	for	ADP
eurjchem-2480	292	31	absolute	absolute	ADJ
eurjchem-2480	292	32	energies	energy	NOUN
eurjchem-2480	292	33	.	.	PUNCT
eurjchem-2480	293	1	equation	equation	NOUN
eurjchem-2480	293	2	18	18	NUM
eurjchem-2480	293	3	with	with	ADP
eurjchem-2480	293	4	a	a	DET
eurjchem-2480	293	5	particular	particular	ADJ
eurjchem-2480	293	6	constant	constant	NOUN
eurjchem-2480	293	7	such	such	ADJ
eurjchem-2480	293	8	as	as	ADP
eurjchem-2480	293	9	b(n-1	b(n-1	NOUN
eurjchem-2480	293	10	)	)	PUNCT
eurjchem-2480	293	11	drops	drop	VERB
eurjchem-2480	293	12	for	for	ADP
eurjchem-2480	293	13	energy	energy	NOUN
eurjchem-2480	293	14	differences	difference	NOUN
eurjchem-2480	293	15	;	;	PUNCT
eurjchem-2480	293	16	however	however	ADV
eurjchem-2480	293	17	,	,	PUNCT
eurjchem-2480	293	18	it	it	PRON
eurjchem-2480	293	19	is	be	AUX
eurjchem-2480	293	20	good	good	ADJ
eurjchem-2480	293	21	for	for	ADP
eurjchem-2480	293	22	estimating	estimate	VERB
eurjchem-2480	293	23	magnitudes	magnitude	NOUN
eurjchem-2480	293	24	.	.	PUNCT
eurjchem-2480	294	1	for	for	ADP
eurjchem-2480	294	2	example	example	NOUN
eurjchem-2480	294	3	,	,	PUNCT
eurjchem-2480	294	4	for	for	ADP
eurjchem-2480	294	5	a	a	DET
eurjchem-2480	294	6	k	k	PROPN
eurjchem-2480	294	7	atom	atom	NOUN
eurjchem-2480	294	8	(	(	PUNCT
eurjchem-2480	294	9	n	n	NOUN
eurjchem-2480	294	10	=	=	SYM
eurjchem-2480	294	11	19	19	NUM
eurjchem-2480	294	12	electrons	electron	NOUN
eurjchem-2480	294	13	)	)	PUNCT
eurjchem-2480	294	14	,	,	PUNCT
eurjchem-2480	294	15	the	the	DET
eurjchem-2480	294	16	ground	ground	NOUN
eurjchem-2480	294	17	state	state	NOUN
eurjchem-2480	294	18	energy	energy	NOUN
eurjchem-2480	294	19	is	be	AUX
eurjchem-2480	294	20	-599.149001	-599.149001	ADJ
eurjchem-2480	294	21	and	and	CCONJ
eurjchem-2480	294	22	-599.73046	-599.73046	NOUN
eurjchem-2480	294	23	h	h	PROPN
eurjchem-2480	294	24	at	at	ADP
eurjchem-2480	294	25	hf	hf	PROPN
eurjchem-2480	294	26	-	-	PUNCT
eurjchem-2480	294	27	scf/6	scf/6	PROPN
eurjchem-2480	294	28	-	-	PUNCT
eurjchem-2480	294	29	311	311	NUM
eurjchem-2480	294	30	g	g	NOUN
eurjchem-2480	294	31	and	and	CCONJ
eurjchem-2480	294	32	at	at	ADP
eurjchem-2480	294	33	the	the	DET
eurjchem-2480	294	34	accurate	accurate	ADJ
eurjchem-2480	294	35	g3	g3	PROPN
eurjchem-2480	294	36	level	level	NOUN
eurjchem-2480	294	37	,	,	PUNCT
eurjchem-2480	294	38	respectively	respectively	ADV
eurjchem-2480	294	39	.	.	PUNCT
eurjchem-2480	295	1	the	the	DET
eurjchem-2480	295	2	ecorr	ecorr	NOUN
eurjchem-2480	295	3	=	=	PUNCT
eurjchem-2480	295	4	-599.73046	-599.73046	NUM
eurjchem-2480	295	5	+	+	SYM
eurjchem-2480	295	6	599.149001	599.149001	NUM
eurjchem-2480	295	7	=	=	SYM
eurjchem-2480	295	8	-0.581459	-0.581459	NOUN
eurjchem-2480	295	9	h	h	NOUN
eurjchem-2480	296	1	≈	≈	PROPN
eurjchem-2480	296	2	364.9	364.9	NUM
eurjchem-2480	296	3	kcal	kcal	NOUN
eurjchem-2480	296	4	/	/	SYM
eurjchem-2480	296	5	mol	mol	PROPN
eurjchem-2480	296	6	,	,	PUNCT
eurjchem-2480	296	7	and	and	CCONJ
eurjchem-2480	296	8	from	from	ADP
eurjchem-2480	296	9	equation	equation	NOUN
eurjchem-2480	296	10	18	18	NUM
eurjchem-2480	296	11	the	the	DET
eurjchem-2480	296	12	-0.045	-0.045	PROPN
eurjchem-2480	296	13	*	*	SYM
eurjchem-2480	296	14	18	18	NUM
eurjchem-2480	296	15	=	=	SYM
eurjchem-2480	296	16	-0.81	-0.81	NOUN
eurjchem-2480	296	17	<	<	X
eurjchem-2480	296	18	-0.581459	-0.581459	X
eurjchem-2480	296	19	<	<	X
eurjchem-2480	296	20	-0.030	-0.030	PROPN
eurjchem-2480	296	21	*	*	SYM
eurjchem-2480	296	22	18	18	NUM
eurjchem-2480	296	23	=	=	SYM
eurjchem-2480	296	24	-0.54	-0.54	NOUN
eurjchem-2480	296	25	holds	hold	NOUN
eurjchem-2480	296	26	.	.	PUNCT
eurjchem-2480	297	1	similarly	similarly	ADV
eurjchem-2480	297	2	,	,	PUNCT
eurjchem-2480	297	3	for	for	ADP
eurjchem-2480	297	4	(	(	PUNCT
eurjchem-2480	297	5	mp2	mp2	NOUN
eurjchem-2480	297	6	level	level	NOUN
eurjchem-2480	297	7	)	)	PUNCT
eurjchem-2480	297	8	geometry	geometry	NOUN
eurjchem-2480	297	9	optimized	optimize	VERB
eurjchem-2480	297	10	ground	ground	NOUN
eurjchem-2480	297	11	state	state	NOUN
eurjchem-2480	297	12	total	total	ADJ
eurjchem-2480	297	13	energy	energy	NOUN
eurjchem-2480	297	14	of	of	ADP
eurjchem-2480	297	15	benzene	benzene	NOUN
eurjchem-2480	297	16	(	(	PUNCT
eurjchem-2480	297	17	c6h6	c6h6	PROPN
eurjchem-2480	297	18	,	,	PUNCT
eurjchem-2480	297	19	n	n	NOUN
eurjchem-2480	297	20	=	=	SYM
eurjchem-2480	297	21	42	42	NUM
eurjchem-2480	297	22	electrons	electron	NOUN
eurjchem-2480	297	23	)	)	PUNCT
eurjchem-2480	297	24	,	,	PUNCT
eurjchem-2480	297	25	the	the	DET
eurjchem-2480	297	26	g2	g2	PROPN
eurjchem-2480	298	1	[	[	X
eurjchem-2480	298	2	23	23	NUM
eurjchem-2480	298	3	]	]	PUNCT
eurjchem-2480	298	4	and	and	CCONJ
eurjchem-2480	298	5	hf	hf	NOUN
eurjchem-2480	298	6	-	-	PUNCT
eurjchem-2480	298	7	scf/3	scf/3	VERB
eurjchem-2480	298	8	-	-	ADJ
eurjchem-2480	298	9	21	21	NUM
eurjchem-2480	298	10	g	g	NOUN
eurjchem-2480	298	11	level	level	NOUN
eurjchem-2480	298	12	ecorr/(n-1	ecorr/(n-1	NOUN
eurjchem-2480	298	13	)	)	PUNCT
eurjchem-2480	298	14	=	=	PUNCT
eurjchem-2480	299	1	(	(	PUNCT
eurjchem-2480	299	2	-231,87667	-231,87667	NOUN
eurjchem-2480	299	3	+	+	CCONJ
eurjchem-2480	299	4	229,41677)/	229,41677)/	NUM
eurjchem-2480	299	5	(	(	PUNCT
eurjchem-2480	299	6	42	42	NUM
eurjchem-2480	299	7	-	-	SYM
eurjchem-2480	299	8	1)=	1)=	NUM
eurjchem-2480	299	9	-0,06	-0,06	NOUN
eurjchem-2480	299	10	h	h	NOUN
eurjchem-2480	299	11	,	,	PUNCT
eurjchem-2480	299	12	while	while	SCONJ
eurjchem-2480	299	13	the	the	DET
eurjchem-2480	299	14	g3	g3	NOUN
eurjchem-2480	299	15	[	[	X
eurjchem-2480	299	16	23	23	NUM
eurjchem-2480	299	17	]	]	PUNCT
eurjchem-2480	299	18	and	and	CCONJ
eurjchem-2480	299	19	hf	hf	PROPN
eurjchem-2480	299	20	-	-	PUNCT
eurjchem-2480	299	21	scf/6	scf/6	PROPN
eurjchem-2480	299	22	-	-	PUNCT
eurjchem-2480	299	23	31	31	NUM
eurjchem-2480	299	24	g	g	NOUN
eurjchem-2480	299	25	*	*	NOUN
eurjchem-2480	299	26	level	level	NOUN
eurjchem-2480	299	27	ecorr/(n-1	ecorr/(n-1	NOUN
eurjchem-2480	299	28	)	)	PUNCT
eurjchem-2480	299	29	=	=	SYM
eurjchem-2480	299	30	(	(	PUNCT
eurjchem-2480	299	31	-232.14840	-232.14840	ADP
eurjchem-2480	300	1	+	+	CCONJ
eurjchem-2480	300	2	230.70204)/(42	230.70204)/(42	NUM
eurjchem-2480	300	3	-	-	SYM
eurjchem-2480	300	4	1	1	NUM
eurjchem-2480	300	5	)	)	PUNCT
eurjchem-2480	300	6	=	=	SYM
eurjchem-2480	300	7	-0.0353	-0.0353	PROPN
eurjchem-2480	300	8	h.	h.	NOUN
eurjchem-2480	300	9	it	it	PRON
eurjchem-2480	300	10	demonstrates	demonstrate	VERB
eurjchem-2480	300	11	the	the	DET
eurjchem-2480	300	12	basis	basis	NOUN
eurjchem-2480	300	13	dependence	dependence	NOUN
eurjchem-2480	300	14	of	of	ADP
eurjchem-2480	300	15	ecorr	ecorr	NOUN
eurjchem-2480	300	16	and	and	CCONJ
eurjchem-2480	300	17	equation	equation	NOUN
eurjchem-2480	300	18	18	18	NUM
eurjchem-2480	300	19	;	;	PUNCT
eurjchem-2480	300	20	more	more	ADV
eurjchem-2480	300	21	precisely	precisely	ADV
eurjchem-2480	300	22	,	,	PUNCT
eurjchem-2480	300	23	the	the	DET
eurjchem-2480	300	24	basis	basis	NOUN
eurjchem-2480	300	25	set	set	NOUN
eurjchem-2480	300	26	error	error	NOUN
eurjchem-2480	300	27	is	be	AUX
eurjchem-2480	300	28	added	add	VERB
eurjchem-2480	300	29	to	to	ADP
eurjchem-2480	300	30	the	the	DET
eurjchem-2480	300	31	correlation	correlation	NOUN
eurjchem-2480	300	32	effect	effect	NOUN
eurjchem-2480	300	33	.	.	PUNCT
eurjchem-2480	301	1	in	in	ADP
eurjchem-2480	301	2	detail	detail	NOUN
eurjchem-2480	301	3	,	,	PUNCT
eurjchem-2480	301	4	ecorr	ecorr	VERB
eurjchem-2480	301	5	<	<	X
eurjchem-2480	301	6	0	0	NUM
eurjchem-2480	301	7	is	be	AUX
eurjchem-2480	301	8	the	the	DET
eurjchem-2480	301	9	basis	basis	NOUN
eurjchem-2480	301	10	set	set	NOUN
eurjchem-2480	301	11	limit	limit	NOUN
eurjchem-2480	301	12	coming	come	VERB
eurjchem-2480	301	13	from	from	ADP
eurjchem-2480	301	14	a	a	DET
eurjchem-2480	301	15	single	single	ADJ
eurjchem-2480	301	16	determinant	determinant	ADJ
eurjchem-2480	301	17	approximation	approximation	NOUN
eurjchem-2480	301	18	;	;	PUNCT
eurjchem-2480	301	19	however	however	ADV
eurjchem-2480	301	20	,	,	PUNCT
eurjchem-2480	301	21	the	the	DET
eurjchem-2480	301	22	applied	apply	VERB
eurjchem-2480	301	23	(	(	PUNCT
eurjchem-2480	301	24	not	not	PART
eurjchem-2480	301	25	infinite	infinite	ADJ
eurjchem-2480	301	26	,	,	PUNCT
eurjchem-2480	301	27	i.e.	i.e.	X
eurjchem-2480	301	28	,	,	PUNCT
eurjchem-2480	301	29	not	not	PART
eurjchem-2480	301	30	complete	complete	ADJ
eurjchem-2480	301	31	)	)	PUNCT
eurjchem-2480	301	32	basis	basis	NOUN
eurjchem-2480	301	33	in	in	ADP
eurjchem-2480	301	34	practice	practice	NOUN
eurjchem-2480	301	35	also	also	ADV
eurjchem-2480	301	36	causes	cause	VERB
eurjchem-2480	301	37	an	an	DET
eurjchem-2480	301	38	error	error	NOUN
eurjchem-2480	301	39	<	<	X
eurjchem-2480	301	40	0	0	NUM
eurjchem-2480	301	41	by	by	ADP
eurjchem-2480	301	42	the	the	DET
eurjchem-2480	301	43	variation	variation	NOUN
eurjchem-2480	301	44	principle	principle	NOUN
eurjchem-2480	301	45	.	.	PUNCT
eurjchem-2480	302	1	the	the	DET
eurjchem-2480	302	2	zpe	zpe	PROPN
eurjchem-2480	302	3	approximation	approximation	NOUN
eurjchem-2480	302	4	in	in	ADP
eurjchem-2480	302	5	equation	equation	NOUN
eurjchem-2480	302	6	19	19	NUM
eurjchem-2480	302	7	for	for	ADP
eurjchem-2480	302	8	uniatomic	uniatomic	ADJ
eurjchem-2480	302	9	molecules	molecule	NOUN
eurjchem-2480	302	10	(	(	PUNCT
eurjchem-2480	302	11	e.g.	e.g.	ADV
eurjchem-2480	302	12	,	,	PUNCT
eurjchem-2480	302	13	h2	h2	PROPN
eurjchem-2480	302	14	,	,	PUNCT
eurjchem-2480	302	15	c2	c2	PROPN
eurjchem-2480	302	16	,	,	PUNCT
eurjchem-2480	302	17	n2	n2	PROPN
eurjchem-2480	302	18	,	,	PUNCT
eurjchem-2480	302	19	cl2	cl2	PROPN
eurjchem-2480	302	20	,	,	PUNCT
eurjchem-2480	302	21	tricarbon	tricarbon	PROPN
eurjchem-2480	302	22	c3	c3	PROPN
eurjchem-2480	302	23	,	,	PUNCT
eurjchem-2480	302	24	ozone	ozone	NOUN
eurjchem-2480	302	25	o3	o3	NOUN
eurjchem-2480	302	26	,	,	PUNCT
eurjchem-2480	302	27	etc	etc	X
eurjchem-2480	302	28	.	.	X
eurjchem-2480	302	29	)	)	PUNCT
eurjchem-2480	302	30	simplifies	simplifie	NOUN
eurjchem-2480	302	31	to	to	ADP
eurjchem-2480	302	32	zpe[xm	zpe[xm	NOUN
eurjchem-2480	302	33	,	,	PUNCT
eurjchem-2480	302	34	h	h	NOUN
eurjchem-2480	302	35	]	]	X
eurjchem-2480	303	1	≈	≈	PROPN
eurjchem-2480	303	2	c	c	PROPN
eurjchem-2480	303	3	m/√mx	m/√mx	PROPN
eurjchem-2480	303	4	and	and	CCONJ
eurjchem-2480	303	5	to	to	ADP
eurjchem-2480	303	6	the	the	DET
eurjchem-2480	303	7	ratio	ratio	NOUN
eurjchem-2480	303	8	zpe[xm]/zpe[ym	zpe[xm]/zpe[ym	PROPN
eurjchem-2480	303	9	]	]	X
eurjchem-2480	304	1	≈	≈	PROPN
eurjchem-2480	304	2	(	(	PUNCT
eurjchem-2480	304	3	my	my	PRON
eurjchem-2480	304	4	/	/	SYM
eurjchem-2480	304	5	mx)1/2	mx)1/2	PROPN
eurjchem-2480	304	6	.	.	PUNCT
eurjchem-2480	305	1	for	for	ADP
eurjchem-2480	305	2	example	example	NOUN
eurjchem-2480	305	3	[	[	X
eurjchem-2480	305	4	27	27	NUM
eurjchem-2480	305	5	]	]	PUNCT
eurjchem-2480	305	6	,	,	PUNCT
eurjchem-2480	305	7	with	with	ADP
eurjchem-2480	305	8	a	a	DET
eurjchem-2480	305	9	larger	large	ADJ
eurjchem-2480	305	10	mass	mass	NOUN
eurjchem-2480	305	11	difference	difference	NOUN
eurjchem-2480	305	12	as	as	ADP
eurjchem-2480	305	13	in	in	ADP
eurjchem-2480	305	14	zpe[cl2]/zpe[h2	zpe[cl2]/zpe[h2	PROPN
eurjchem-2480	305	15	]	]	PUNCT
eurjchem-2480	305	16	,	,	PUNCT
eurjchem-2480	305	17	the	the	DET
eurjchem-2480	305	18	approximate	approximate	ADJ
eurjchem-2480	305	19	(	(	PUNCT
eurjchem-2480	305	20	mh	mh	NOUN
eurjchem-2480	305	21	/	/	SYM
eurjchem-2480	305	22	mcl)1/2	mcl)1/2	PROPN
eurjchem-2480	305	23	=	=	PUNCT
eurjchem-2480	305	24	(	(	PUNCT
eurjchem-2480	305	25	1/35)1/2	1/35)1/2	NUM
eurjchem-2480	305	26	≈	≈	PROPN
eurjchem-2480	305	27	0,17	0,17	NOUN
eurjchem-2480	305	28	compares	compare	VERB
eurjchem-2480	305	29	to	to	ADP
eurjchem-2480	305	30	the	the	DET
eurjchem-2480	305	31	experimental	experimental	ADJ
eurjchem-2480	305	32	279.22	279.22	NUM
eurjchem-2480	305	33	cm-1/2179.3	cm-1/2179.3	PROPN
eurjchem-2480	305	34	cm-1	cm-1	X
eurjchem-2480	305	35	≈	≈	PROPN
eurjchem-2480	305	36	0.13	0.13	NUM
eurjchem-2480	305	37	,	,	PUNCT
eurjchem-2480	305	38	and	and	CCONJ
eurjchem-2480	305	39	for	for	ADP
eurjchem-2480	305	40	smaller	small	ADJ
eurjchem-2480	305	41	mass	mass	NOUN
eurjchem-2480	305	42	differences	difference	NOUN
eurjchem-2480	305	43	as	as	ADP
eurjchem-2480	305	44	in	in	ADP
eurjchem-2480	305	45	zpe[n2]/zpe[c2	zpe[n2]/zpe[c2	NUM
eurjchem-2480	305	46	]	]	PUNCT
eurjchem-2480	305	47	,	,	PUNCT
eurjchem-2480	305	48	the	the	DET
eurjchem-2480	305	49	approximate	approximate	ADJ
eurjchem-2480	305	50	(	(	PUNCT
eurjchem-2480	305	51	mc	mc	PROPN
eurjchem-2480	305	52	/	/	SYM
eurjchem-2480	305	53	mn)1/2	mn)1/2	PROPN
eurjchem-2480	305	54	=	=	SYM
eurjchem-2480	305	55	(	(	PUNCT
eurjchem-2480	305	56	12/14)1/2	12/14)1/2	NUM
eurjchem-2480	305	57	≈	≈	PROPN
eurjchem-2480	305	58	0.9	0.9	NUM
eurjchem-2480	305	59	compares	compare	VERB
eurjchem-2480	305	60	to	to	ADP
eurjchem-2480	305	61	the	the	DET
eurjchem-2480	305	62	experimental	experimental	ADJ
eurjchem-2480	305	63	1175.78	1175.78	NUM
eurjchem-2480	305	64	cm-1/924.0	cm-1/924.0	NOUN
eurjchem-2480	305	65	cm-1	cm-1	X
eurjchem-2480	306	1	≈	≈	PROPN
eurjchem-2480	306	2	1.3	1.3	NUM
eurjchem-2480	306	3	.	.	PUNCT
eurjchem-2480	307	1	clearly	clearly	ADV
eurjchem-2480	307	2	,	,	PUNCT
eurjchem-2480	307	3	e.g.	e.g.	ADV
eurjchem-2480	307	4	,	,	PUNCT
eurjchem-2480	307	5	an	an	DET
eurjchem-2480	307	6	hf	hf	PROPN
eurjchem-2480	307	7	-	-	PUNCT
eurjchem-2480	307	8	scf	scf	NOUN
eurjchem-2480	307	9	/	/	SYM
eurjchem-2480	307	10	basis	basis	NOUN
eurjchem-2480	307	11	level	level	NOUN
eurjchem-2480	307	12	frequency	frequency	NOUN
eurjchem-2480	307	13	calculation	calculation	NOUN
eurjchem-2480	307	14	is	be	AUX
eurjchem-2480	307	15	more	more	ADV
eurjchem-2480	307	16	accurate	accurate	ADJ
eurjchem-2480	307	17	than	than	ADP
eurjchem-2480	307	18	the	the	DET
eurjchem-2480	307	19	left	left	NOUN
eurjchem-2480	307	20	in	in	ADP
eurjchem-2480	307	21	equation	equation	NOUN
eurjchem-2480	307	22	19	19	NUM
eurjchem-2480	307	23	(	(	PUNCT
eurjchem-2480	307	24	which	which	PRON
eurjchem-2480	307	25	,	,	PUNCT
eurjchem-2480	307	26	for	for	ADP
eurjchem-2480	307	27	example	example	NOUN
eurjchem-2480	307	28	,	,	PUNCT
eurjchem-2480	307	29	can	can	AUX
eurjchem-2480	307	30	not	not	PART
eurjchem-2480	307	31	account	account	VERB
eurjchem-2480	307	32	for	for	ADP
eurjchem-2480	307	33	isomers	isomer	NOUN
eurjchem-2480	307	34	)	)	PUNCT
eurjchem-2480	307	35	,	,	PUNCT
eurjchem-2480	307	36	but	but	CCONJ
eurjchem-2480	307	37	even	even	ADV
eurjchem-2480	307	38	the	the	DET
eurjchem-2480	307	39	hf	hf	PROPN
eurjchem-2480	307	40	-	-	PUNCT
eurjchem-2480	307	41	scf	scf	NOUN
eurjchem-2480	307	42	/	/	SYM
eurjchem-2480	307	43	basis	basis	NOUN
eurjchem-2480	307	44	needs	need	NOUN
eurjchem-2480	307	45	improved	improve	VERB
eurjchem-2480	307	46	energy	energy	NOUN
eurjchem-2480	307	47	wells	well	NOUN
eurjchem-2480	307	48	via	via	ADP
eurjchem-2480	307	49	correlation	correlation	NOUN
eurjchem-2480	307	50	calculation	calculation	NOUN
eurjchem-2480	307	51	for	for	ADP
eurjchem-2480	307	52	acceptable	acceptable	ADJ
eurjchem-2480	307	53	zpe	zpe	NOUN
eurjchem-2480	307	54	values	value	NOUN
eurjchem-2480	307	55	.	.	PUNCT
eurjchem-2480	308	1	appendix	appendix	NOUN
eurjchem-2480	308	2	5	5	NUM
eurjchem-2480	308	3	the	the	DET
eurjchem-2480	308	4	nonassociative	nonassociative	ADJ
eurjchem-2480	308	5	property	property	NOUN
eurjchem-2480	308	6	in	in	ADP
eurjchem-2480	308	7	the	the	DET
eurjchem-2480	308	8	application	application	NOUN
eurjchem-2480	308	9	of	of	ADP
eurjchem-2480	308	10	h2	h2	NOUN
eurjchem-2480	308	11	is	be	AUX
eurjchem-2480	308	12	fundamental	fundamental	ADJ
eurjchem-2480	308	13	,	,	PUNCT
eurjchem-2480	308	14	because	because	SCONJ
eurjchem-2480	308	15	the	the	DET
eurjchem-2480	308	16	notation	notation	NOUN
eurjchem-2480	308	17	h2	h2	NOUN
eurjchem-2480	308	18	itself	itself	PRON
eurjchem-2480	308	19	can	can	AUX
eurjchem-2480	308	20	be	be	AUX
eurjchem-2480	308	21	misleading	misleading	ADJ
eurjchem-2480	308	22	.	.	PUNCT
eurjchem-2480	309	1	in	in	ADP
eurjchem-2480	309	2	the	the	DET
eurjchem-2480	309	3	operator	operator	NOUN
eurjchem-2480	309	4	algebra	algebra	NOUN
eurjchem-2480	309	5	of	of	ADP
eurjchem-2480	309	6	cqc	cqc	PROPN
eurjchem-2480	309	7	,	,	PUNCT
eurjchem-2480	309	8	the	the	DET
eurjchem-2480	309	9	strict	strict	ADJ
eurjchem-2480	309	10	tacit	tacit	ADJ
eurjchem-2480	309	11	agreement	agreement	NOUN
eurjchem-2480	309	12	is	be	AUX
eurjchem-2480	309	13	the	the	DET
eurjchem-2480	309	14	interpretation	interpretation	NOUN
eurjchem-2480	309	15	h2ψ	h2ψ	PROPN
eurjchem-2480	309	16	≡	≡	PROPN
eurjchem-2480	309	17	h(hψ	h(hψ	PROPN
eurjchem-2480	309	18	)	)	PUNCT
eurjchem-2480	309	19	and	and	CCONJ
eurjchem-2480	309	20	not	not	PART
eurjchem-2480	309	21	(	(	PUNCT
eurjchem-2480	309	22	h2)ψ	h2)ψ	NOUN
eurjchem-2480	309	23	.	.	PUNCT
eurjchem-2480	310	1	simple	simple	ADJ
eurjchem-2480	310	2	examples	example	NOUN
eurjchem-2480	310	3	demonstrate	demonstrate	VERB
eurjchem-2480	310	4	the	the	DET
eurjchem-2480	310	5	trap	trap	NOUN
eurjchem-2480	310	6	.	.	PUNCT
eurjchem-2480	311	1	the	the	DET
eurjchem-2480	311	2	differential	differential	ADJ
eurjchem-2480	311	3	operator	operator	NOUN
eurjchem-2480	311	4	o=	o=	ADJ
eurjchem-2480	311	5	d	d	PROPN
eurjchem-2480	311	6	/	/	SYM
eurjchem-2480	311	7	dx	dx	PROPN
eurjchem-2480	311	8	yields	yield	VERB
eurjchem-2480	311	9	the	the	DET
eurjchem-2480	311	10	associative	associative	ADJ
eurjchem-2480	311	11	o(of	o(of	NOUN
eurjchem-2480	311	12	)	)	PUNCT
eurjchem-2480	311	13	=	=	PUNCT
eurjchem-2480	311	14	(	(	PUNCT
eurjchem-2480	311	15	o2)f	o2)f	NOUN
eurjchem-2480	311	16	=	=	SYM
eurjchem-2480	311	17	d2f	d2f	PROPN
eurjchem-2480	311	18	/	/	SYM
eurjchem-2480	311	19	dx2	dx2	PROPN
eurjchem-2480	311	20	,	,	PUNCT
eurjchem-2480	311	21	or	or	CCONJ
eurjchem-2480	311	22	the	the	DET
eurjchem-2480	311	23	matrix	matrix	NOUN
eurjchem-2480	311	24	operators	operator	NOUN
eurjchem-2480	311	25	a	a	DET
eurjchem-2480	311	26	and	and	CCONJ
eurjchem-2480	311	27	b	b	NOUN
eurjchem-2480	311	28	yield	yield	NOUN
eurjchem-2480	311	29	an	an	DET
eurjchem-2480	311	30	associative	associative	ADJ
eurjchem-2480	311	31	a(bf	a(bf	NOUN
eurjchem-2480	311	32	)	)	PUNCT
eurjchem-2480	311	33	=	=	SYM
eurjchem-2480	311	34	(	(	PUNCT
eurjchem-2480	311	35	ab)f	ab)f	PROPN
eurjchem-2480	311	36	,	,	PUNCT
eurjchem-2480	311	37	but	but	CCONJ
eurjchem-2480	311	38	o	o	NOUN
eurjchem-2480	311	39	=	=	PUNCT
eurjchem-2480	311	40	d	d	X
eurjchem-2480	311	41	/	/	SYM
eurjchem-2480	311	42	dx+x	dx+x	PROPN
eurjchem-2480	311	43	yields	yield	VERB
eurjchem-2480	311	44	non	non	ADJ
eurjchem-2480	311	45	-	-	ADJ
eurjchem-2480	311	46	associative	associative	ADJ
eurjchem-2480	311	47	o(of	o(of	NOUN
eurjchem-2480	311	48	)	)	PUNCT
eurjchem-2480	311	49	(	(	PUNCT
eurjchem-2480	311	50	o2)f	o2)f	NOUN
eurjchem-2480	311	51	=	=	PUNCT
eurjchem-2480	311	52	x	x	SYM
eurjchem-2480	311	53	df	df	PROPN
eurjchem-2480	311	54	/	/	SYM
eurjchem-2480	311	55	dx	dx	PROPN
eurjchem-2480	311	56	≠	≠	PROPN
eurjchem-2480	311	57	0	0	NUM
eurjchem-2480	311	58	.	.	PUNCT
eurjchem-2480	312	1	for	for	ADP
eurjchem-2480	312	2	the	the	DET
eurjchem-2480	312	3	eigenvalue	eigenvalue	ADJ
eurjchem-2480	312	4	equation	equation	NOUN
eurjchem-2480	312	5	of	of	ADP
eurjchem-2480	312	6	the	the	DET
eurjchem-2480	312	7	latter	latter	ADJ
eurjchem-2480	312	8	,	,	PUNCT
eurjchem-2480	312	9	f	f	PROPN
eurjchem-2480	312	10	=	=	SYM
eurjchem-2480	312	11	c	c	PROPN
eurjchem-2480	312	12	exp(ax	exp(ax	NOUN
eurjchem-2480	312	13	-	-	PUNCT
eurjchem-2480	312	14	x2/2	x2/2	NOUN
eurjchem-2480	312	15	)	)	PUNCT
eurjchem-2480	312	16	solves	solve	NOUN
eurjchem-2480	312	17	of	of	ADP
eurjchem-2480	312	18	=	=	PUNCT
eurjchem-2480	312	19	af	af	NOUN
eurjchem-2480	312	20	and	and	CCONJ
eurjchem-2480	312	21	o(of	o(of	NUM
eurjchem-2480	312	22	)	)	PUNCT
eurjchem-2480	313	1	=	=	VERB
eurjchem-2480	314	1	a2f	a2f	PROPN
eurjchem-2480	315	1	in	in	ADP
eurjchem-2480	315	2	contrast	contrast	NOUN
eurjchem-2480	315	3	to	to	ADP
eurjchem-2480	315	4	(	(	PUNCT
eurjchem-2480	315	5	oo)f	oo)f	PROPN
eurjchem-2480	315	6	=	=	SYM
eurjchem-2480	315	7	(	(	PUNCT
eurjchem-2480	315	8	a2	a2	NOUN
eurjchem-2480	315	9	-	-	PUNCT
eurjchem-2480	315	10	ax	ax	NOUN
eurjchem-2480	315	11	+	+	NOUN
eurjchem-2480	315	12	x2)f	x2)f	NOUN
eurjchem-2480	315	13	≠	≠	PROPN
eurjchem-2480	315	14	a2f	a2f	PROPN
eurjchem-2480	315	15	.	.	PUNCT
eurjchem-2480	316	1	the	the	DET
eurjchem-2480	316	2	twin	twin	ADJ
eurjchem-2480	316	3	textbook	textbook	NOUN
eurjchem-2480	316	4	property	property	NOUN
eurjchem-2480	316	5	is	be	AUX
eurjchem-2480	316	6	the	the	DET
eurjchem-2480	316	7	fundamental	fundamental	ADJ
eurjchem-2480	316	8	commutator	commutator	NOUN
eurjchem-2480	317	1	[	[	X
eurjchem-2480	317	2	1,5	1,5	NUM
eurjchem-2480	317	3	]	]	PUNCT
eurjchem-2480	317	4	,	,	PUNCT
eurjchem-2480	317	5	for	for	ADP
eurjchem-2480	317	6	example	example	NOUN
eurjchem-2480	317	7	,	,	PUNCT
eurjchem-2480	317	8	[	[	X
eurjchem-2480	317	9	x	x	X
eurjchem-2480	317	10	,	,	PUNCT
eurjchem-2480	317	11	d	d	PROPN
eurjchem-2480	317	12	/	/	SYM
eurjchem-2480	317	13	dx	dx	PROPN
eurjchem-2480	317	14	]	]	X
eurjchem-2480	317	15	≡	≡	PROPN
eurjchem-2480	317	16	x(d	x(d	PROPN
eurjchem-2480	317	17	/	/	SYM
eurjchem-2480	317	18	dx	dx	PROPN
eurjchem-2480	317	19	)	)	PUNCT
eurjchem-2480	317	20	(	(	PUNCT
eurjchem-2480	317	21	d	d	X
eurjchem-2480	317	22	/	/	SYM
eurjchem-2480	317	23	dx)x	dx)x	X
eurjchem-2480	317	24	≠	≠	PROPN
eurjchem-2480	317	25	0	0	NUM
eurjchem-2480	317	26	,	,	PUNCT
eurjchem-2480	317	27	for	for	ADP
eurjchem-2480	317	28	which	which	PRON
eurjchem-2480	317	29	f	f	AUX
eurjchem-2480	317	30	=	=	SYM
eurjchem-2480	317	31	c	c	PROPN
eurjchem-2480	317	32	xa	xa	PROPN
eurjchem-2480	317	33	solves	solve	VERB
eurjchem-2480	317	34	x	x	X
eurjchem-2480	317	35	df	df	PROPN
eurjchem-2480	317	36	/	/	SYM
eurjchem-2480	317	37	dx	dx	PROPN
eurjchem-2480	317	38	=	=	PUNCT
eurjchem-2480	317	39	a	a	DET
eurjchem-2480	317	40	f	f	X
eurjchem-2480	317	41	vs.	vs.	ADP
eurjchem-2480	317	42	only	only	ADV
eurjchem-2480	317	43	f	f	PROPN
eurjchem-2480	317	44	=	=	SYM
eurjchem-2480	317	45	0	0	NUM
eurjchem-2480	317	46	solves	solve	NOUN
eurjchem-2480	317	47	d(xf)/dx	d(xf)/dx	NOUN
eurjchem-2480	317	48	=	=	PUNCT
eurjchem-2480	317	49	a	a	DET
eurjchem-2480	317	50	f	f	X
eurjchem-2480	317	51	,	,	PUNCT
eurjchem-2480	317	52	and	and	CCONJ
eurjchem-2480	317	53	similarly	similarly	ADV
eurjchem-2480	317	54	,	,	PUNCT
eurjchem-2480	317	55	with	with	ADP
eurjchem-2480	317	56	general	general	ADJ
eurjchem-2480	317	57	matrix	matrix	NOUN
eurjchem-2480	317	58	operators	operator	NOUN
eurjchem-2480	317	59	,	,	PUNCT
eurjchem-2480	318	1	[	[	X
eurjchem-2480	318	2	a	a	PRON
eurjchem-2480	318	3	,	,	PUNCT
eurjchem-2480	318	4	b]f	b]f	VERB
eurjchem-2480	318	5	≡	≡	PROPN
eurjchem-2480	318	6	(	(	PUNCT
eurjchem-2480	318	7	ab	ab	PROPN
eurjchem-2480	318	8	-	-	PUNCT
eurjchem-2480	318	9	ba)f	ba)f	ADJ
eurjchem-2480	318	10	≠	≠	NOUN
eurjchem-2480	318	11	0	0	NUM
eurjchem-2480	318	12	generally	generally	ADV
eurjchem-2480	318	13	,	,	PUNCT
eurjchem-2480	318	14	i.e.	i.e.	X
eurjchem-2480	318	15	non	non	ADJ
eurjchem-2480	318	16	-	-	ADJ
eurjchem-2480	318	17	commutative	commutative	ADJ
eurjchem-2480	318	18	.	.	PUNCT
eurjchem-2480	319	1	the	the	DET
eurjchem-2480	319	2	associative	associative	ADJ
eurjchem-2480	319	3	interpretation	interpretation	NOUN
eurjchem-2480	319	4	must	must	AUX
eurjchem-2480	319	5	also	also	ADV
eurjchem-2480	319	6	be	be	AUX
eurjchem-2480	319	7	used	use	VERB
eurjchem-2480	319	8	in	in	ADP
eurjchem-2480	319	9	the	the	DET
eurjchem-2480	319	10	commutator	commutator	NOUN
eurjchem-2480	319	11	,	,	PUNCT
eurjchem-2480	319	12	as	as	ADP
eurjchem-2480	319	13	(	(	PUNCT
eurjchem-2480	319	14	d	d	NOUN
eurjchem-2480	319	15	/	/	SYM
eurjchem-2480	319	16	dx)(xf	dx)(xf	PROPN
eurjchem-2480	319	17	)	)	PUNCT
eurjchem-2480	319	18	=	=	SYM
eurjchem-2480	320	1	f	f	PROPN
eurjchem-2480	321	1	+	+	CCONJ
eurjchem-2480	321	2	x	x	PROPN
eurjchem-2480	321	3	df	df	PROPN
eurjchem-2480	321	4	/	/	SYM
eurjchem-2480	321	5	dx	dx	PROPN
eurjchem-2480	321	6	and	and	CCONJ
eurjchem-2480	321	7	not	not	PART
eurjchem-2480	321	8	(	(	PUNCT
eurjchem-2480	321	9	(	(	PUNCT
eurjchem-2480	321	10	d	d	X
eurjchem-2480	321	11	/	/	SYM
eurjchem-2480	321	12	dx	dx	PROPN
eurjchem-2480	321	13	)	)	PUNCT
eurjchem-2480	321	14	x)f	x)f	PUNCT
eurjchem-2480	322	1	=	=	PUNCT
eurjchem-2480	322	2	f	f	PROPN
eurjchem-2480	322	3	demonstrates	demonstrate	VERB
eurjchem-2480	322	4	.	.	PUNCT
eurjchem-2480	323	1	appendix	appendix	NOUN
eurjchem-2480	323	2	6	6	NUM
eurjchem-2480	323	3	for	for	ADP
eurjchem-2480	323	4	any	any	DET
eurjchem-2480	323	5	molecular	molecular	ADJ
eurjchem-2480	323	6	system	system	NOUN
eurjchem-2480	323	7	with	with	ADP
eurjchem-2480	323	8	n	n	ADP
eurjchem-2480	323	9	electrons	electron	NOUN
eurjchem-2480	323	10	,	,	PUNCT
eurjchem-2480	323	11	the	the	DET
eurjchem-2480	323	12	magnitude	magnitude	NOUN
eurjchem-2480	323	13	[	[	X
eurjchem-2480	323	14	7,20	7,20	X
eurjchem-2480	323	15	]	]	X
eurjchem-2480	323	16	of	of	ADP
eurjchem-2480	323	17	the	the	DET
eurjchem-2480	323	18	'	'	PUNCT
eurjchem-2480	323	19	correlation	correlation	NOUN
eurjchem-2480	323	20	energy	energy	NOUN
eurjchem-2480	323	21	'	'	PUNCT
eurjchem-2480	323	22	is	be	AUX
eurjchem-2480	323	23	estimated	estimate	VERB
eurjchem-2480	323	24	in	in	ADP
eurjchem-2480	323	25	equation	equation	NOUN
eurjchem-2480	323	26	18	18	NUM
eurjchem-2480	323	27	,	,	PUNCT
eurjchem-2480	323	28	a	a	DET
eurjchem-2480	323	29	negative	negative	ADJ
eurjchem-2480	323	30	value	value	NOUN
eurjchem-2480	323	31	according	accord	VERB
eurjchem-2480	323	32	to	to	ADP
eurjchem-2480	323	33	the	the	DET
eurjchem-2480	323	34	variation	variation	NOUN
eurjchem-2480	323	35	principle	principle	NOUN
eurjchem-2480	323	36	in	in	ADP
eurjchem-2480	323	37	hf	hf	PROPN
eurjchem-2480	323	38	-	-	PUNCT
eurjchem-2480	323	39	scf	scf	PROPN
eurjchem-2480	323	40	.	.	PUNCT
eurjchem-2480	324	1	it	it	PRON
eurjchem-2480	324	2	is	be	AUX
eurjchem-2480	324	3	about	about	ADV
eurjchem-2480	324	4	1	1	NUM
eurjchem-2480	324	5	-	-	SYM
eurjchem-2480	324	6	2	2	NUM
eurjchem-2480	324	7	%	%	NOUN
eurjchem-2480	324	8	of	of	ADP
eurjchem-2480	324	9	the	the	DET
eurjchem-2480	324	10	ground	ground	NOUN
eurjchem-2480	324	11	state	state	NOUN
eurjchem-2480	324	12	eelectr,0	eelectr,0	NOUN
eurjchem-2480	324	13	,	,	PUNCT
eurjchem-2480	324	14	but	but	CCONJ
eurjchem-2480	324	15	depends	depend	VERB
eurjchem-2480	324	16	on	on	ADP
eurjchem-2480	324	17	the	the	DET
eurjchem-2480	324	18	nuclear	nuclear	ADJ
eurjchem-2480	324	19	frame	frame	NOUN
eurjchem-2480	324	20	and	and	CCONJ
eurjchem-2480	324	21	is	be	AUX
eurjchem-2480	324	22	far	far	ADV
eurjchem-2480	324	23	above	above	ADP
eurjchem-2480	324	24	the	the	DET
eurjchem-2480	324	25	chemical	chemical	ADJ
eurjchem-2480	324	26	accuracy	accuracy	NOUN
eurjchem-2480	324	27	(	(	PUNCT
eurjchem-2480	324	28	1	1	NUM
eurjchem-2480	324	29	kcal	kcal	NOUN
eurjchem-2480	324	30	/	/	SYM
eurjchem-2480	324	31	mol	mol	NOUN
eurjchem-2480	324	32	)	)	PUNCT
eurjchem-2480	324	33	.	.	PUNCT
eurjchem-2480	325	1	in	in	ADP
eurjchem-2480	325	2	the	the	DET
eurjchem-2480	325	3	hf	hf	PROPN
eurjchem-2480	325	4	-	-	PUNCT
eurjchem-2480	325	5	scf	scf	NOUN
eurjchem-2480	325	6	formalism	formalism	NOUN
eurjchem-2480	325	7	,	,	PUNCT
eurjchem-2480	325	8	the	the	DET
eurjchem-2480	325	9	'	'	PUNCT
eurjchem-2480	325	10	correlation	correlation	NOUN
eurjchem-2480	325	11	energy	energy	NOUN
eurjchem-2480	325	12	'	'	PUNCT
eurjchem-2480	325	13	is	be	AUX
eurjchem-2480	325	14	defined	define	VERB
eurjchem-2480	325	15	[	[	PUNCT
eurjchem-2480	325	16	5	5	NUM
eurjchem-2480	325	17	]	]	PUNCT
eurjchem-2480	325	18	with	with	SCONJ
eurjchem-2480	325	19	the	the	DET
eurjchem-2480	325	20	energy	energy	NOUN
eurjchem-2480	325	21	optimized	optimize	VERB
eurjchem-2480	325	22	ground	ground	NOUN
eurjchem-2480	325	23	state	state	NOUN
eurjchem-2480	325	24	slater	slater	NOUN
eurjchem-2480	325	25	determinant	determinant	PROPN
eurjchem-2480	325	26	eelectr,0	eelectr,0	NOUN
eurjchem-2480	326	1	=	=	X
eurjchem-2480	326	2	<	<	X
eurjchem-2480	326	3	s0|hs0	s0|hs0	X
eurjchem-2480	326	4	>	>	X
eurjchem-2480	326	5	+	+	NUM
eurjchem-2480	326	6	ecorr	ecorr	ADJ
eurjchem-2480	326	7	,	,	PUNCT
eurjchem-2480	326	8	i.e.	i.e.	X
eurjchem-2480	326	9	,	,	PUNCT
eurjchem-2480	326	10	it	it	PRON
eurjchem-2480	326	11	comes	come	VERB
eurjchem-2480	326	12	from	from	ADP
eurjchem-2480	326	13	the	the	DET
eurjchem-2480	326	14	error	error	NOUN
eurjchem-2480	326	15	in	in	ADP
eurjchem-2480	326	16	the	the	DET
eurjchem-2480	326	17	approximation	approximation	NOUN
eurjchem-2480	326	18	ψ0	ψ0	PROPN
eurjchem-2480	326	19	≈	≈	PROPN
eurjchem-2480	326	20	s0	s0	PROPN
eurjchem-2480	326	21	.	.	PUNCT
eurjchem-2480	327	1	besides	besides	SCONJ
eurjchem-2480	327	2	the	the	DET
eurjchem-2480	327	3	ecorr	ecorr	NOUN
eurjchem-2480	327	4	,	,	PUNCT
eurjchem-2480	327	5	there	there	PRON
eurjchem-2480	327	6	is	be	VERB
eurjchem-2480	327	7	a	a	DET
eurjchem-2480	327	8	basis	basis	NOUN
eurjchem-2480	327	9	set	set	NOUN
eurjchem-2480	327	10	error	error	NOUN
eurjchem-2480	327	11	as	as	ADV
eurjchem-2480	327	12	well	well	ADV
eurjchem-2480	327	13	.	.	PUNCT
eurjchem-2480	328	1	a	a	DET
eurjchem-2480	328	2	typical	typical	ADJ
eurjchem-2480	328	3	calculation	calculation	NOUN
eurjchem-2480	328	4	for	for	ADP
eurjchem-2480	328	5	ecorr	ecorr	NOUN
eurjchem-2480	328	6	was	be	AUX
eurjchem-2480	328	7	,	,	PUNCT
eurjchem-2480	328	8	for	for	ADP
eurjchem-2480	328	9	example	example	NOUN
eurjchem-2480	328	10	,	,	PUNCT
eurjchem-2480	328	11	the	the	DET
eurjchem-2480	328	12	emblematic	emblematic	ADJ
eurjchem-2480	328	13	moller	moller	NOUN
eurjchem-2480	328	14	-	-	PUNCT
eurjchem-2480	328	15	plesset	plesset	NOUN
eurjchem-2480	328	16	method	method	NOUN
eurjchem-2480	328	17	[	[	X
eurjchem-2480	328	18	5	5	NUM
eurjchem-2480	328	19	]	]	PUNCT
eurjchem-2480	328	20	,	,	PUNCT
eurjchem-2480	328	21	but	but	CCONJ
eurjchem-2480	328	22	it	it	PRON
eurjchem-2480	328	23	did	do	AUX
eurjchem-2480	328	24	not	not	PART
eurjchem-2480	328	25	bring	bring	VERB
eurjchem-2480	328	26	the	the	DET
eurjchem-2480	328	27	long	long	ADV
eurjchem-2480	328	28	-	-	PUNCT
eurjchem-2480	328	29	awaited	await	VERB
eurjchem-2480	328	30	accuracy	accuracy	NOUN
eurjchem-2480	328	31	and	and	CCONJ
eurjchem-2480	328	32	dft	dft	PROPN
eurjchem-2480	328	33	was	be	AUX
eurjchem-2480	328	34	born	bear	VERB
eurjchem-2480	328	35	.	.	PUNCT
eurjchem-2480	329	1	in	in	ADP
eurjchem-2480	329	2	the	the	DET
eurjchem-2480	329	3	ks	ks	NOUN
eurjchem-2480	329	4	formalism	formalism	NOUN
eurjchem-2480	329	5	[	[	X
eurjchem-2480	329	6	1,2	1,2	NUM
eurjchem-2480	329	7	]	]	PUNCT
eurjchem-2480	329	8	,	,	PUNCT
eurjchem-2480	329	9	the	the	DET
eurjchem-2480	329	10	approximation	approximation	NOUN
eurjchem-2480	329	11	of	of	ADP
eurjchem-2480	329	12	kinetic	kinetic	ADJ
eurjchem-2480	329	13	energy	energy	NOUN
eurjchem-2480	329	14	(	(	PUNCT
eurjchem-2480	329	15	t	t	NOUN
eurjchem-2480	329	16	)	)	PUNCT
eurjchem-2480	329	17	is	be	AUX
eurjchem-2480	329	18	responsible	responsible	ADJ
eurjchem-2480	329	19	for	for	ADP
eurjchem-2480	329	20	the	the	DET
eurjchem-2480	329	21	'	'	PUNCT
eurjchem-2480	329	22	correlation	correlation	NOUN
eurjchem-2480	329	23	'	'	PUNCT
eurjchem-2480	329	24	energy	energy	NOUN
eurjchem-2480	329	25	,	,	PUNCT
eurjchem-2480	329	26	notated	notate	VERB
eurjchem-2480	329	27	ec	ec	PROPN
eurjchem-2480	329	28	,	,	PUNCT
eurjchem-2480	329	29	for	for	ADP
eurjchem-2480	329	30	t≡	t≡	DET
eurjchem-2480	329	31	<	<	X
eurjchem-2480	329	32	ψ0|h∇ψ0	ψ0|h∇ψ0	X
eurjchem-2480	329	33	>	>	X
eurjchem-2480	329	34	≈	≈	PROPN
eurjchem-2480	329	35	ts[ρ	ts[ρ	PROPN
eurjchem-2480	329	36	]	]	PUNCT
eurjchem-2480	329	37	≡	≡	PROPN
eurjchem-2480	329	38	(	(	PUNCT
eurjchem-2480	329	39	-½)∑1n∫ϕi∇2ϕιdr1	-½)∑1n∫ϕi∇2ϕιdr1	PROPN
eurjchem-2480	329	40	(	(	PUNCT
eurjchem-2480	329	41	20	20	NUM
eurjchem-2480	329	42	)	)	PUNCT
eurjchem-2480	329	43	the	the	DET
eurjchem-2480	329	44	approximation	approximation	NOUN
eurjchem-2480	329	45	[	[	X
eurjchem-2480	329	46	1,2	1,2	NUM
eurjchem-2480	329	47	]	]	PUNCT
eurjchem-2480	329	48	for	for	ADP
eurjchem-2480	329	49	electron	electron	NOUN
eurjchem-2480	329	50	-	-	PUNCT
eurjchem-2480	329	51	electron	electron	NOUN
eurjchem-2480	329	52	repulsion	repulsion	NOUN
eurjchem-2480	329	53	(	(	PUNCT
eurjchem-2480	329	54	vee	vee	PROPN
eurjchem-2480	329	55	)	)	PUNCT
eurjchem-2480	329	56	is	be	AUX
eurjchem-2480	329	57	responsible	responsible	ADJ
eurjchem-2480	329	58	for	for	ADP
eurjchem-2480	329	59	'	'	PUNCT
eurjchem-2480	329	60	exchange	exchange	NOUN
eurjchem-2480	329	61	'	'	PART
eurjchem-2480	329	62	energy	energy	NOUN
eurjchem-2480	329	63	,	,	PUNCT
eurjchem-2480	329	64	notated	notate	VERB
eurjchem-2480	329	65	ex	ex	PROPN
eurjchem-2480	329	66	,	,	PUNCT
eurjchem-2480	329	67	and	and	CCONJ
eurjchem-2480	329	68	the	the	DET
eurjchem-2480	329	69	nuclear	nuclear	NOUN
eurjchem-2480	329	70	-	-	PUNCT
eurjchem-2480	329	71	electron	electron	NOUN
eurjchem-2480	329	72	attraction	attraction	NOUN
eurjchem-2480	329	73	(	(	PUNCT
eurjchem-2480	329	74	vne	vne	PROPN
eurjchem-2480	329	75	)	)	PUNCT
eurjchem-2480	329	76	is	be	AUX
eurjchem-2480	329	77	100	100	NUM
eurjchem-2480	329	78	%	%	NOUN
eurjchem-2480	329	79	accurate	accurate	ADJ
eurjchem-2480	329	80	if	if	SCONJ
eurjchem-2480	329	81	the	the	DET
eurjchem-2480	329	82	real	real	ADJ
eurjchem-2480	329	83	(	(	PUNCT
eurjchem-2480	329	84	accurate	accurate	ADJ
eurjchem-2480	329	85	)	)	PUNCT
eurjchem-2480	329	86	ρ	ρ	PROPN
eurjchem-2480	329	87	is	be	AUX
eurjchem-2480	329	88	used	use	VERB
eurjchem-2480	329	89	in	in	ADP
eurjchem-2480	329	90	equation	equation	NOUN
eurjchem-2480	329	91	21	21	NUM
eurjchem-2480	329	92	:	:	PUNCT
eurjchem-2480	329	93	vee≡	vee≡	VERB
eurjchem-2480	329	94	<	<	X
eurjchem-2480	329	95	ψ0|heeψ0	ψ0|heeψ0	PROPN
eurjchem-2480	329	96	>	>	X
eurjchem-2480	329	97	≈	≈	PROPN
eurjchem-2480	329	98	½	½	PROPN
eurjchem-2480	329	99	∫ρ(1)ρ(2	∫ρ(1)ρ(2	PROPN
eurjchem-2480	329	100	)	)	PUNCT
eurjchem-2480	329	101	r12	r12	NOUN
eurjchem-2480	329	102	-	-	PUNCT
eurjchem-2480	329	103	1	1	NUM
eurjchem-2480	329	104	dr1dr2	dr1dr2	NOUN
eurjchem-2480	329	105	and	and	CCONJ
eurjchem-2480	329	106	vne≡	vne≡	NOUN
eurjchem-2480	329	107	<	<	X
eurjchem-2480	329	108	ψ0|hneψ0	ψ0|hneψ0	X
eurjchem-2480	329	109	>	>	X
eurjchem-2480	329	110	=	=	PUNCT
eurjchem-2480	329	111	∑c=1	∑c=1	PROPN
eurjchem-2480	329	112	m	m	PROPN
eurjchem-2480	329	113	∫ρ(1	∫ρ(1	ADJ
eurjchem-2480	329	114	)	)	PUNCT
eurjchem-2480	329	115	rc1	rc1	NOUN
eurjchem-2480	329	116	-	-	PUNCT
eurjchem-2480	329	117	1	1	NUM
eurjchem-2480	329	118	dr1	dr1	PROPN
eurjchem-2480	329	119	(	(	PUNCT
eurjchem-2480	329	120	21	21	NUM
eurjchem-2480	329	121	)	)	PUNCT
eurjchem-2480	329	122	the	the	DET
eurjchem-2480	329	123	ρ	ρ	PROPN
eurjchem-2480	329	124	in	in	ADP
eurjchem-2480	329	125	equations	equation	NOUN
eurjchem-2480	329	126	20	20	NUM
eurjchem-2480	329	127	and	and	CCONJ
eurjchem-2480	329	128	21	21	NUM
eurjchem-2480	329	129	is	be	AUX
eurjchem-2480	329	130	the	the	DET
eurjchem-2480	329	131	ground	ground	NOUN
eurjchem-2480	329	132	-	-	PUNCT
eurjchem-2480	329	133	state	state	NOUN
eurjchem-2480	329	134	oneelectron	oneelectron	ADJ
eurjchem-2480	329	135	density	density	NOUN
eurjchem-2480	329	136	;	;	PUNCT
eurjchem-2480	329	137	it	it	PRON
eurjchem-2480	329	138	should	should	AUX
eurjchem-2480	329	139	be	be	AUX
eurjchem-2480	329	140	indexed	index	VERB
eurjchem-2480	329	141	as	as	ADP
eurjchem-2480	329	142	ρ0	ρ0	PROPN
eurjchem-2480	329	143	.	.	PUNCT
eurjchem-2480	330	1	furthermore	furthermore	ADV
eurjchem-2480	330	2	,	,	PUNCT
eurjchem-2480	330	3	ec	ec	PROPN
eurjchem-2480	330	4	>	>	X
eurjchem-2480	330	5	0	0	PROPN
eurjchem-2480	330	6	,	,	PUNCT
eurjchem-2480	330	7	ex	ex	X
eurjchem-2480	330	8	<	<	X
eurjchem-2480	330	9	0	0	NUM
eurjchem-2480	330	10	,	,	PUNCT
eurjchem-2480	330	11	and	and	CCONJ
eurjchem-2480	330	12	ecorr	ecorr	PROPN
eurjchem-2480	331	1	≈	≈	PROPN
eurjchem-2480	331	2	exc≡	exc≡	NOUN
eurjchem-2480	332	1	ex+ec	ex+ec	X
eurjchem-2480	332	2	<	<	X
eurjchem-2480	332	3	0	0	X
eurjchem-2480	332	4	.	.	PUNCT
eurjchem-2480	333	1	the	the	DET
eurjchem-2480	333	2	ecorr	ecorr	PROPN
eurjchem-2480	333	3	,	,	PUNCT
eurjchem-2480	333	4	ec	ec	PROPN
eurjchem-2480	333	5	,	,	PUNCT
eurjchem-2480	333	6	and	and	CCONJ
eurjchem-2480	333	7	ex	ex	PRON
eurjchem-2480	333	8	are	be	AUX
eurjchem-2480	333	9	about	about	ADP
eurjchem-2480	333	10	in	in	ADP
eurjchem-2480	333	11	the	the	DET
eurjchem-2480	333	12	same	same	ADJ
eurjchem-2480	333	13	magnitude	magnitude	NOUN
eurjchem-2480	333	14	.	.	PUNCT
eurjchem-2480	334	1	the	the	DET
eurjchem-2480	334	2	ks	ks	NOUN
eurjchem-2480	334	3	formalism	formalism	NOUN
eurjchem-2480	334	4	(	(	PUNCT
eurjchem-2480	334	5	calculating	calculate	VERB
eurjchem-2480	334	6	exc	exc	NOUN
eurjchem-2480	334	7	during	during	ADP
eurjchem-2480	334	8	)	)	PUNCT
eurjchem-2480	334	9	approximates	approximate	NOUN
eurjchem-2480	334	10	eelectr,0	eelectr,0	NOUN
eurjchem-2480	334	11	and	and	CCONJ
eurjchem-2480	334	12	energy	energy	NOUN
eurjchem-2480	334	13	differences	difference	NOUN
eurjchem-2480	334	14	better	well	ADV
eurjchem-2480	334	15	than	than	ADP
eurjchem-2480	334	16	the	the	DET
eurjchem-2480	334	17	hfscf	hfscf	PROPN
eurjchem-2480	334	18	(	(	PUNCT
eurjchem-2480	334	19	with	with	ADP
eurjchem-2480	334	20	calculating	calculate	VERB
eurjchem-2480	334	21	ecorr	ecorr	NOUN
eurjchem-2480	334	22	after	after	ADP
eurjchem-2480	334	23	)	)	PUNCT
eurjchem-2480	334	24	in	in	ADP
eurjchem-2480	334	25	the	the	DET
eurjchem-2480	334	26	routines	routine	NOUN
eurjchem-2480	334	27	of	of	ADP
eurjchem-2480	334	28	today	today	NOUN
eurjchem-2480	334	29	.	.	PUNCT
eurjchem-2480	335	1	the	the	DET
eurjchem-2480	335	2	price	price	NOUN
eurjchem-2480	335	3	of	of	ADP
eurjchem-2480	335	4	convenient	convenient	ADJ
eurjchem-2480	335	5	approximations	approximation	NOUN
eurjchem-2480	335	6	in	in	ADP
eurjchem-2480	335	7	equations	equation	NOUN
eurjchem-2480	335	8	20	20	NUM
eurjchem-2480	335	9	and	and	CCONJ
eurjchem-2480	335	10	21	21	NUM
eurjchem-2480	335	11	and	and	CCONJ
eurjchem-2480	335	12	empirical	empirical	ADJ
eurjchem-2480	335	13	functionals	functional	NOUN
eurjchem-2480	335	14	for	for	ADP
eurjchem-2480	335	15	the	the	DET
eurjchem-2480	335	16	correlation	correlation	NOUN
eurjchem-2480	335	17	effect	effect	NOUN
eurjchem-2480	335	18	(	(	PUNCT
eurjchem-2480	335	19	exc	exc	NOUN
eurjchem-2480	335	20	)	)	PUNCT
eurjchem-2480	335	21	is	be	AUX
eurjchem-2480	335	22	that	that	SCONJ
eurjchem-2480	335	23	the	the	DET
eurjchem-2480	335	24	variation	variation	NOUN
eurjchem-2480	335	25	principle	principle	NOUN
eurjchem-2480	335	26	does	do	AUX
eurjchem-2480	335	27	not	not	PART
eurjchem-2480	335	28	hold	hold	VERB
eurjchem-2480	335	29	in	in	ADP
eurjchem-2480	335	30	dft	dft	PROPN
eurjchem-2480	335	31	,	,	PUNCT
eurjchem-2480	335	32	i.e.	i.e.	X
eurjchem-2480	335	33	,	,	PUNCT
eurjchem-2480	335	34	the	the	DET
eurjchem-2480	335	35	exc	exc	NOUN
eurjchem-2480	335	36	is	be	AUX
eurjchem-2480	335	37	nonvariational	nonvariational	ADJ
eurjchem-2480	335	38	,	,	PUNCT
eurjchem-2480	335	39	unless	unless	SCONJ
eurjchem-2480	335	40	it	it	PRON
eurjchem-2480	335	41	is	be	AUX
eurjchem-2480	335	42	built	build	VERB
eurjchem-2480	335	43	into	into	ADP
eurjchem-2480	335	44	the	the	DET
eurjchem-2480	335	45	algorithm	algorithm	NOUN
eurjchem-2480	335	46	.	.	PUNCT
eurjchem-2480	336	1	abbreviations	abbreviation	NOUN
eurjchem-2480	336	2	cc	cc	NOUN
eurjchem-2480	336	3	=	=	NOUN
eurjchem-2480	336	4	correlation	correlation	NOUN
eurjchem-2480	336	5	calculation	calculation	NOUN
eurjchem-2480	336	6	;	;	PUNCT
eurjchem-2480	336	7	cqc	cqc	X
eurjchem-2480	336	8	=	=	SYM
eurjchem-2480	336	9	computational	computational	ADJ
eurjchem-2480	336	10	quantum	quantum	ADJ
eurjchem-2480	336	11	chemistry	chemistry	NOUN
eurjchem-2480	336	12	;	;	PUNCT
eurjchem-2480	336	13	ci	ci	NOUN
eurjchem-2480	336	14	=	=	SYM
eurjchem-2480	336	15	configuration	configuration	NOUN
eurjchem-2480	336	16	interaction	interaction	NOUN
eurjchem-2480	336	17	methods	method	NOUN
eurjchem-2480	336	18	;	;	PUNCT
eurjchem-2480	336	19	dft	dft	PROPN
eurjchem-2480	336	20	=	=	SYM
eurjchem-2480	336	21	density	density	PROPN
eurjchem-2480	336	22	functional	functional	ADJ
eurjchem-2480	336	23	theory	theory	NOUN
eurjchem-2480	336	24	;	;	PUNCT
eurjchem-2480	336	25	etotal,0	etotal,0	NOUN
eurjchem-2480	336	26	=	=	SYM
eurjchem-2480	336	27	eelectr,0	eelectr,0	NOUN
eurjchem-2480	336	28	+	+	CCONJ
eurjchem-2480	336	29	vnn	vnn	NOUN
eurjchem-2480	336	30	;	;	PUNCT
eurjchem-2480	336	31	fl(v	fl(v	NUM
eurjchem-2480	336	32	)	)	PUNCT
eurjchem-2480	336	33	≡	≡	PROPN
eurjchem-2480	336	34	∫(0,1	∫(0,1	CCONJ
eurjchem-2480	336	35	)	)	PUNCT
eurjchem-2480	336	36	sandor	sandor	PROPN
eurjchem-2480	336	37	kristyan	kristyan	PROPN
eurjchem-2480	336	38	/	/	SYM
eurjchem-2480	336	39	european	european	PROPN
eurjchem-2480	336	40	journal	journal	PROPN
eurjchem-2480	336	41	of	of	ADP
eurjchem-2480	336	42	chemistry	chemistry	NOUN
eurjchem-2480	336	43	14	14	NUM
eurjchem-2480	336	44	(	(	PUNCT
eurjchem-2480	336	45	4	4	NUM
eurjchem-2480	336	46	)	)	PUNCT
eurjchem-2480	336	47	(	(	PUNCT
eurjchem-2480	336	48	2023	2023	NUM
eurjchem-2480	336	49	)	)	PUNCT
eurjchem-2480	336	50	486	486	NUM
eurjchem-2480	336	51	-	-	SYM
eurjchem-2480	336	52	493	493	NUM
eurjchem-2480	336	53	493	493	NUM
eurjchem-2480	336	54	2023	2023	NUM
eurjchem-2480	336	55	–	–	PUNCT
eurjchem-2480	336	56	european	european	ADJ
eurjchem-2480	336	57	journal	journal	NOUN
eurjchem-2480	336	58	of	of	ADP
eurjchem-2480	336	59	chemistry	chemistry	NOUN
eurjchem-2480	336	60	–	–	PUNCT
eurjchem-2480	336	61	cc	cc	NOUN
eurjchem-2480	336	62	by	by	ADP
eurjchem-2480	336	63	nc	nc	PROPN
eurjchem-2480	336	64	–	–	PUNCT
eurjchem-2480	336	65	doi	doi	PROPN
eurjchem-2480	336	66	:	:	PUNCT
eurjchem-2480	336	67	10.5155	10.5155	NUM
eurjchem-2480	336	68	/	/	SYM
eurjchem-2480	336	69	eurjchem.14.4.486	eurjchem.14.4.486	NUM
eurjchem-2480	336	70	-	-	PUNCT
eurjchem-2480	336	71	493.2480	493.2480	NOUN
eurjchem-2480	336	72	exp(-vt2	exp(-vt2	ADJ
eurjchem-2480	336	73	)	)	PUNCT
eurjchem-2480	336	74	t2l	t2l	PROPN
eurjchem-2480	336	75	dt	dt	PROPN
eurjchem-2480	336	76	,	,	PUNCT
eurjchem-2480	336	77	the	the	DET
eurjchem-2480	336	78	boys	boy	NOUN
eurjchem-2480	336	79	function	function	VERB
eurjchem-2480	336	80	,	,	PUNCT
eurjchem-2480	336	81	l	l	PROPN
eurjchem-2480	336	82	≥	≥	NOUN
eurjchem-2480	336	83	0	0	NUM
eurjchem-2480	336	84	integer	integer	NOUN
eurjchem-2480	336	85	;	;	PUNCT
eurjchem-2480	336	86	gto	gto	NOUN
eurjchem-2480	336	87	=	=	SYM
eurjchem-2480	336	88	primitive	primitive	ADJ
eurjchem-2480	336	89	gaussian	gaussian	ADJ
eurjchem-2480	336	90	type	type	NOUN
eurjchem-2480	336	91	atomic	atomic	ADJ
eurjchem-2480	336	92	orbital	orbital	NOUN
eurjchem-2480	336	93	,	,	PUNCT
eurjchem-2480	336	94	the	the	DET
eurjchem-2480	336	95	gai(a	gai(a	PROPN
eurjchem-2480	336	96	,	,	PUNCT
eurjchem-2480	336	97	nx	nx	PROPN
eurjchem-2480	336	98	,	,	PUNCT
eurjchem-2480	336	99	ny	ny	PROPN
eurjchem-2480	336	100	,	,	PUNCT
eurjchem-2480	336	101	nz	nz	PROPN
eurjchem-2480	336	102	)	)	PUNCT
eurjchem-2480	336	103	in	in	ADP
eurjchem-2480	336	104	equation	equation	NOUN
eurjchem-2480	336	105	1	1	NUM
eurjchem-2480	336	106	with	with	ADP
eurjchem-2480	336	107	n	n	NOUN
eurjchem-2480	336	108	=	=	SYM
eurjchem-2480	336	109	2	2	NUM
eurjchem-2480	336	110	;	;	PUNCT
eurjchem-2480	336	111	hf	hf	PROPN
eurjchem-2480	336	112	-	-	PUNCT
eurjchem-2480	336	113	scf	scf	NOUN
eurjchem-2480	336	114	/	/	SYM
eurjchem-2480	336	115	basis	basis	NOUN
eurjchem-2480	336	116	=	=	NOUN
eurjchem-2480	336	117	hartree	hartree	ADV
eurjchem-2480	336	118	-	-	PUNCT
eurjchem-2480	336	119	fock	fock	ADJ
eurjchem-2480	336	120	self	self	NOUN
eurjchem-2480	336	121	-	-	PUNCT
eurjchem-2480	336	122	consistent	consistent	ADJ
eurjchem-2480	336	123	field	field	NOUN
eurjchem-2480	336	124	method	method	NOUN
eurjchem-2480	336	125	on	on	ADP
eurjchem-2480	336	126	a	a	DET
eurjchem-2480	336	127	chosen	choose	VERB
eurjchem-2480	336	128	basis	basis	NOUN
eurjchem-2480	336	129	set	set	NOUN
eurjchem-2480	336	130	level	level	NOUN
eurjchem-2480	336	131	;	;	PUNCT
eurjchem-2480	336	132	h	h	NOUN
eurjchem-2480	336	133	=	=	SYM
eurjchem-2480	336	134	hartree	hartree	NOUN
eurjchem-2480	336	135	;	;	PUNCT
eurjchem-2480	336	136	ks	k	NOUN
eurjchem-2480	336	137	formalism	formalism	NOUN
eurjchem-2480	336	138	=	=	SYM
eurjchem-2480	336	139	kohn	kohn	PROPN
eurjchem-2480	336	140	-	-	PUNCT
eurjchem-2480	336	141	sham	sham	ADJ
eurjchem-2480	336	142	formalism	formalism	NOUN
eurjchem-2480	336	143	;	;	PUNCT
eurjchem-2480	337	1	lc	lc	NOUN
eurjchem-2480	337	2	=	=	SYM
eurjchem-2480	337	3	linear	linear	ADJ
eurjchem-2480	337	4	combination	combination	NOUN
eurjchem-2480	337	5	;	;	PUNCT
eurjchem-2480	337	6	lcao	lcao	NOUN
eurjchem-2480	337	7	=	=	SYM
eurjchem-2480	337	8	linear	linear	ADJ
eurjchem-2480	337	9	combination	combination	NOUN
eurjchem-2480	337	10	of	of	ADP
eurjchem-2480	337	11	atomic	atomic	ADJ
eurjchem-2480	337	12	orbitals	orbital	NOUN
eurjchem-2480	337	13	;	;	PUNCT
eurjchem-2480	337	14	ra≡	ra≡	NOUN
eurjchem-2480	337	15	(	(	PUNCT
eurjchem-2480	337	16	rax	rax	PROPN
eurjchem-2480	337	17	,	,	PUNCT
eurjchem-2480	337	18	ray	ray	NOUN
eurjchem-2480	337	19	,	,	PUNCT
eurjchem-2480	337	20	raz	raz	NOUN
eurjchem-2480	337	21	)	)	PUNCT
eurjchem-2480	337	22	or	or	CCONJ
eurjchem-2480	337	23	(	(	PUNCT
eurjchem-2480	337	24	xa	xa	PROPN
eurjchem-2480	337	25	,	,	PUNCT
eurjchem-2480	337	26	ya	ya	PROPN
eurjchem-2480	337	27	,	,	PUNCT
eurjchem-2480	337	28	za	za	PROPN
eurjchem-2480	337	29	)	)	PUNCT
eurjchem-2480	337	30	=	=	SYM
eurjchem-2480	337	31	3d	3d	NUM
eurjchem-2480	337	32	position	position	NOUN
eurjchem-2480	337	33	(	(	PUNCT
eurjchem-2480	337	34	spatial	spatial	ADJ
eurjchem-2480	337	35	)	)	PUNCT
eurjchem-2480	337	36	vector	vector	NOUN
eurjchem-2480	337	37	of	of	ADP
eurjchem-2480	337	38	(	(	PUNCT
eurjchem-2480	337	39	fixed	fix	VERB
eurjchem-2480	337	40	)	)	PUNCT
eurjchem-2480	337	41	nucleus	nucleus	NOUN
eurjchem-2480	337	42	a	a	PROPN
eurjchem-2480	337	43	;	;	PUNCT
eurjchem-2480	337	44	rab≡	rab≡	NOUN
eurjchem-2480	337	45	|ra	|ra	ADJ
eurjchem-2480	337	46	-	-	ADJ
eurjchem-2480	337	47	rb|	rb|	ADJ
eurjchem-2480	337	48	=	=	SYM
eurjchem-2480	337	49	nucleus	nucleus	NOUN
eurjchem-2480	337	50	-	-	PUNCT
eurjchem-2480	337	51	nucleus	nucleus	NOUN
eurjchem-2480	337	52	distance	distance	NOUN
eurjchem-2480	337	53	;	;	PUNCT
eurjchem-2480	337	54	rai≡	rai≡	ADP
eurjchem-2480	337	55	|ra	|ra	VERB
eurjchem-2480	337	56	-	-	ADJ
eurjchem-2480	337	57	ri|	ri|	ADJ
eurjchem-2480	337	58	=	=	PUNCT
eurjchem-2480	337	59	nucleus	nucleus	NOUN
eurjchem-2480	337	60	-	-	PUNCT
eurjchem-2480	337	61	electron	electron	NOUN
eurjchem-2480	337	62	distance	distance	NOUN
eurjchem-2480	337	63	;	;	PUNCT
eurjchem-2480	337	64	ri≡	ri≡	PROPN
eurjchem-2480	337	65	(	(	PUNCT
eurjchem-2480	337	66	xi	xi	PROPN
eurjchem-2480	337	67	,	,	PUNCT
eurjchem-2480	337	68	yi	yi	PROPN
eurjchem-2480	337	69	,	,	PUNCT
eurjchem-2480	337	70	zi	zi	NOUN
eurjchem-2480	337	71	)	)	PUNCT
eurjchem-2480	337	72	=	=	PUNCT
eurjchem-2480	337	73	3d	3d	NUM
eurjchem-2480	337	74	position	position	NOUN
eurjchem-2480	337	75	(	(	PUNCT
eurjchem-2480	337	76	spatial	spatial	ADJ
eurjchem-2480	337	77	)	)	PUNCT
eurjchem-2480	337	78	vector	vector	NOUN
eurjchem-2480	337	79	of	of	ADP
eurjchem-2480	337	80	(	(	PUNCT
eurjchem-2480	337	81	moving	move	VERB
eurjchem-2480	337	82	)	)	PUNCT
eurjchem-2480	337	83	electron	electron	NOUN
eurjchem-2480	337	84	i	i	PRON
eurjchem-2480	337	85	;	;	PUNCT
eurjchem-2480	337	86	rij≡	rij≡	X
eurjchem-2480	337	87	|ri	|ri	X
eurjchem-2480	337	88	-	-	PUNCT
eurjchem-2480	337	89	rj|	rj|	NOUN
eurjchem-2480	337	90	=	=	NOUN
eurjchem-2480	337	91	electron	electron	NOUN
eurjchem-2480	337	92	-	-	PUNCT
eurjchem-2480	337	93	electron	electron	NOUN
eurjchem-2480	337	94	distance	distance	NOUN
eurjchem-2480	337	95	;	;	PUNCT
eurjchem-2480	337	96	ρ(i)≡ρ(ri	ρ(i)≡ρ(ri	ADV
eurjchem-2480	337	97	):	):	PUNCT
eurjchem-2480	337	98	real3	real3	NOUN
eurjchem-2480	337	99	→	→	SYM
eurjchem-2480	337	100	real	real	ADJ
eurjchem-2480	337	101	,	,	PUNCT
eurjchem-2480	337	102	the	the	DET
eurjchem-2480	337	103	one	one	NUM
eurjchem-2480	337	104	-	-	PUNCT
eurjchem-2480	337	105	electron	electron	NOUN
eurjchem-2480	337	106	density	density	NOUN
eurjchem-2480	337	107	,	,	PUNCT
eurjchem-2480	337	108	the	the	DET
eurjchem-2480	337	109	case	case	NOUN
eurjchem-2480	337	110	(	(	PUNCT
eurjchem-2480	337	111	n	n	CCONJ
eurjchem-2480	337	112	,	,	PUNCT
eurjchem-2480	337	113	m)=(0,0	m)=(0,0	NOUN
eurjchem-2480	337	114	)	)	PUNCT
eurjchem-2480	337	115	in	in	ADP
eurjchem-2480	337	116	the	the	DET
eurjchem-2480	337	117	main	main	ADJ
eurjchem-2480	337	118	title	title	NOUN
eurjchem-2480	337	119	reduces	reduce	VERB
eurjchem-2480	337	120	to	to	ADP
eurjchem-2480	337	121	the	the	DET
eurjchem-2480	337	122	normalization	normalization	NOUN
eurjchem-2480	337	123	as	as	ADP
eurjchem-2480	337	124	(	(	PUNCT
eurjchem-2480	337	125	∫ρ(1)dr1)i	∫ρ(1)dr1)i	PROPN
eurjchem-2480	337	126	=	=	SYM
eurjchem-2480	337	127	ni	ni	PROPN
eurjchem-2480	337	128	for	for	ADP
eurjchem-2480	337	129	i	i	PRON
eurjchem-2480	337	130	=	=	NOUN
eurjchem-2480	337	131	1	1	NUM
eurjchem-2480	337	132	,	,	PUNCT
eurjchem-2480	337	133	2	2	NUM
eurjchem-2480	337	134	and	and	CCONJ
eurjchem-2480	337	135	3	3	NUM
eurjchem-2480	337	136	,	,	PUNCT
eurjchem-2480	337	137	respectively	respectively	ADV
eurjchem-2480	337	138	,	,	PUNCT
eurjchem-2480	337	139	where	where	SCONJ
eurjchem-2480	337	140	n	n	PRON
eurjchem-2480	337	141	is	be	AUX
eurjchem-2480	337	142	the	the	DET
eurjchem-2480	337	143	number	number	NOUN
eurjchem-2480	337	144	of	of	ADP
eurjchem-2480	337	145	electrons	electron	NOUN
eurjchem-2480	337	146	and	and	CCONJ
eurjchem-2480	337	147	m	m	NOUN
eurjchem-2480	337	148	is	be	AUX
eurjchem-2480	337	149	the	the	DET
eurjchem-2480	337	150	number	number	NOUN
eurjchem-2480	337	151	of	of	ADP
eurjchem-2480	337	152	nuclei	nucleus	NOUN
eurjchem-2480	337	153	in	in	ADP
eurjchem-2480	337	154	the	the	DET
eurjchem-2480	337	155	system	system	NOUN
eurjchem-2480	337	156	(	(	PUNCT
eurjchem-2480	337	157	with	with	ADP
eurjchem-2480	337	158	atomic	atomic	ADJ
eurjchem-2480	337	159	masses	masse	NOUN
eurjchem-2480	337	160	m1	m1	NOUN
eurjchem-2480	337	161	,	,	PUNCT
eurjchem-2480	337	162	m2	m2	PROPN
eurjchem-2480	337	163	,	,	PUNCT
eurjchem-2480	337	164	…	…	PUNCT
eurjchem-2480	337	165	,	,	PUNCT
eurjchem-2480	337	166	mm	mm	PROPN
eurjchem-2480	337	167	)	)	PUNCT
eurjchem-2480	337	168	;	;	PUNCT
eurjchem-2480	337	169	sto	sto	NOUN
eurjchem-2480	337	170	=	=	SYM
eurjchem-2480	337	171	slater	slater	NOUN
eurjchem-2480	337	172	-	-	PUNCT
eurjchem-2480	337	173	type	type	NOUN
eurjchem-2480	337	174	atomic	atomic	ADJ
eurjchem-2480	337	175	orbital	orbital	NOUN
eurjchem-2480	337	176	,	,	PUNCT
eurjchem-2480	337	177	the	the	DET
eurjchem-2480	337	178	gai(a	gai(a	PROPN
eurjchem-2480	337	179	,	,	PUNCT
eurjchem-2480	337	180	nx	nx	PROPN
eurjchem-2480	337	181	,	,	PUNCT
eurjchem-2480	337	182	ny	ny	PROPN
eurjchem-2480	337	183	,	,	PUNCT
eurjchem-2480	337	184	nz	nz	PROPN
eurjchem-2480	337	185	)	)	PUNCT
eurjchem-2480	337	186	in	in	ADP
eurjchem-2480	337	187	equation	equation	NOUN
eurjchem-2480	337	188	1	1	NUM
eurjchem-2480	337	189	with	with	ADP
eurjchem-2480	337	190	n	n	NOUN
eurjchem-2480	337	191	=	=	SYM
eurjchem-2480	337	192	1	1	NUM
eurjchem-2480	337	193	;	;	PUNCT
eurjchem-2480	337	194	zpe	zpe	NOUN
eurjchem-2480	337	195	=	=	SYM
eurjchem-2480	337	196	zero	zero	NUM
eurjchem-2480	337	197	point	point	NOUN
eurjchem-2480	337	198	energy	energy	NOUN
eurjchem-2480	337	199	.	.	PUNCT
eurjchem-2480	338	1	acknowledgement	acknowledgement	NOUN
eurjchem-2480	338	2	the	the	DET
eurjchem-2480	338	3	emotional	emotional	ADJ
eurjchem-2480	338	4	support	support	NOUN
eurjchem-2480	338	5	for	for	ADP
eurjchem-2480	338	6	this	this	DET
eurjchem-2480	338	7	research	research	NOUN
eurjchem-2480	338	8	from	from	ADP
eurjchem-2480	338	9	otka	otka	PROPN
eurjchem-2480	338	10	-	-	PUNCT
eurjchem-2480	338	11	k-115733	k-115733	NOUN
eurjchem-2480	338	12	and	and	CCONJ
eurjchem-2480	338	13	119358	119358	NUM
eurjchem-2480	338	14	(	(	PUNCT
eurjchem-2480	338	15	https://www.otka-palyazat.hu	https://www.otka-palyazat.hu	NOUN
eurjchem-2480	338	16	)	)	PUNCT
eurjchem-2480	338	17	is	be	AUX
eurjchem-2480	338	18	kindly	kindly	ADV
eurjchem-2480	338	19	acknowledged	acknowledge	VERB
eurjchem-2480	338	20	.	.	PUNCT
eurjchem-2480	339	1	thanks	thank	NOUN
eurjchem-2480	339	2	to	to	ADP
eurjchem-2480	339	3	szeger	szeger	NOUN
eurjchem-2480	339	4	hermin	hermin	VERB
eurjchem-2480	339	5	for	for	ADP
eurjchem-2480	339	6	her	her	PRON
eurjchem-2480	339	7	help	help	NOUN
eurjchem-2480	339	8	with	with	ADP
eurjchem-2480	339	9	the	the	DET
eurjchem-2480	339	10	typing	typing	NOUN
eurjchem-2480	339	11	of	of	ADP
eurjchem-2480	339	12	the	the	DET
eurjchem-2480	339	13	manuscript	manuscript	NOUN
eurjchem-2480	339	14	.	.	PUNCT
eurjchem-2480	340	1	disclosure	disclosure	NOUN
eurjchem-2480	340	2	statement	statement	NOUN
eurjchem-2480	340	3	conflict	conflict	NOUN
eurjchem-2480	340	4	of	of	ADP
eurjchem-2480	340	5	interests	interest	NOUN
eurjchem-2480	340	6	:	:	PUNCT
eurjchem-2480	340	7	the	the	DET
eurjchem-2480	340	8	author	author	NOUN
eurjchem-2480	340	9	declares	declare	VERB
eurjchem-2480	340	10	that	that	SCONJ
eurjchem-2480	340	11	they	they	PRON
eurjchem-2480	340	12	have	have	VERB
eurjchem-2480	340	13	no	no	DET
eurjchem-2480	340	14	conflict	conflict	NOUN
eurjchem-2480	340	15	of	of	ADP
eurjchem-2480	340	16	interest	interest	NOUN
eurjchem-2480	340	17	.	.	PUNCT
eurjchem-2480	341	1	ethical	ethical	ADJ
eurjchem-2480	341	2	approval	approval	NOUN
eurjchem-2480	341	3	:	:	PUNCT
eurjchem-2480	342	1	all	all	DET
eurjchem-2480	342	2	ethical	ethical	ADJ
eurjchem-2480	342	3	guidelines	guideline	NOUN
eurjchem-2480	342	4	have	have	AUX
eurjchem-2480	342	5	been	be	AUX
eurjchem-2480	342	6	adhered	adhere	VERB
eurjchem-2480	342	7	.	.	PUNCT
eurjchem-2480	343	1	orcid	orcid	NOUN
eurjchem-2480	343	2	and	and	CCONJ
eurjchem-2480	343	3	email	email	NOUN
eurjchem-2480	343	4	sandor	sandor	PROPN
eurjchem-2480	343	5	kristyan	kristyan	PROPN
eurjchem-2480	343	6	kristyan.sandor@ttk.mta.hu	kristyan.sandor@ttk.mta.hu	PROPN
eurjchem-2480	344	1	kristyan.sandor@ttk.hu	kristyan.sandor@ttk.hu	PROPN
eurjchem-2480	344	2	https://orcid.org/0000-0003-4169-2392	https://orcid.org/0000-0003-4169-2392	PROPN
eurjchem-2480	344	3	references	reference	NOUN
eurjchem-2480	344	4	[	[	X
eurjchem-2480	344	5	1	1	NUM
eurjchem-2480	344	6	]	]	PUNCT
eurjchem-2480	344	7	.	.	PUNCT
eurjchem-2480	345	1	parr	parr	PROPN
eurjchem-2480	345	2	,	,	PUNCT
eurjchem-2480	345	3	r.	r.	PROPN
eurjchem-2480	345	4	g.	g.	PROPN
eurjchem-2480	345	5	;	;	PUNCT
eurjchem-2480	345	6	weitao	weitao	PROPN
eurjchem-2480	345	7	,	,	PUNCT
eurjchem-2480	345	8	y.	y.	PROPN
eurjchem-2480	345	9	density	density	PROPN
eurjchem-2480	345	10	-	-	PUNCT
eurjchem-2480	345	11	functional	functional	ADJ
eurjchem-2480	345	12	theory	theory	NOUN
eurjchem-2480	345	13	of	of	ADP
eurjchem-2480	345	14	atoms	atom	NOUN
eurjchem-2480	345	15	and	and	CCONJ
eurjchem-2480	345	16	molecules	molecule	NOUN
eurjchem-2480	345	17	;	;	PUNCT
eurjchem-2480	345	18	oxford	oxford	PROPN
eurjchem-2480	345	19	university	university	NOUN
eurjchem-2480	345	20	press	press	NOUN
eurjchem-2480	345	21	:	:	PUNCT
eurjchem-2480	345	22	new	new	PROPN
eurjchem-2480	345	23	york	york	PROPN
eurjchem-2480	345	24	,	,	PUNCT
eurjchem-2480	345	25	ny	ny	PROPN
eurjchem-2480	345	26	,	,	PUNCT
eurjchem-2480	345	27	1994	1994	NUM
eurjchem-2480	345	28	.	.	PUNCT
eurjchem-2480	346	1	[	[	X
eurjchem-2480	346	2	2	2	NUM
eurjchem-2480	346	3	]	]	PUNCT
eurjchem-2480	346	4	.	.	PUNCT
eurjchem-2480	347	1	koch	koch	PROPN
eurjchem-2480	347	2	,	,	PUNCT
eurjchem-2480	347	3	w.	w.	PROPN
eurjchem-2480	347	4	;	;	PUNCT
eurjchem-2480	347	5	holthausen	holthausen	PROPN
eurjchem-2480	347	6	,	,	PUNCT
eurjchem-2480	347	7	m.	m.	PROPN
eurjchem-2480	347	8	c.	c.	PROPN
eurjchem-2480	347	9	a	a	DET
eurjchem-2480	347	10	chemist	chemist	NOUN
eurjchem-2480	347	11	’s	’s	PART
eurjchem-2480	347	12	guide	guide	NOUN
eurjchem-2480	347	13	to	to	ADP
eurjchem-2480	347	14	density	density	NOUN
eurjchem-2480	347	15	functional	functional	ADJ
eurjchem-2480	347	16	theory	theory	NOUN
eurjchem-2480	347	17	;	;	PUNCT
eurjchem-2480	347	18	wiley	wiley	PROPN
eurjchem-2480	347	19	,	,	PUNCT
eurjchem-2480	347	20	2001	2001	NUM
eurjchem-2480	347	21	.	.	PUNCT
eurjchem-2480	348	1	[	[	X
eurjchem-2480	348	2	3	3	NUM
eurjchem-2480	348	3	]	]	PUNCT
eurjchem-2480	348	4	.	.	PUNCT
eurjchem-2480	348	5	kristyan	kristyan	PROPN
eurjchem-2480	348	6	,	,	PUNCT
eurjchem-2480	348	7	s.	s.	PROPN
eurjchem-2480	348	8	variational	variational	ADJ
eurjchem-2480	348	9	calculation	calculation	NOUN
eurjchem-2480	348	10	with	with	ADP
eurjchem-2480	348	11	general	general	ADJ
eurjchem-2480	348	12	density	density	NOUN
eurjchem-2480	348	13	functional	functional	ADJ
eurjchem-2480	348	14	to	to	PART
eurjchem-2480	348	15	solve	solve	VERB
eurjchem-2480	348	16	the	the	DET
eurjchem-2480	348	17	electronic	electronic	ADJ
eurjchem-2480	348	18	schrödinger	schrödinger	ADJ
eurjchem-2480	348	19	equation	equation	NOUN
eurjchem-2480	348	20	directly	directly	ADV
eurjchem-2480	348	21	for	for	ADP
eurjchem-2480	348	22	ground	ground	NOUN
eurjchem-2480	348	23	state	state	NOUN
eurjchem-2480	348	24	:	:	PUNCT
eurjchem-2480	348	25	a	a	DET
eurjchem-2480	348	26	recipe	recipe	NOUN
eurjchem-2480	348	27	for	for	ADP
eurjchem-2480	348	28	self	self	NOUN
eurjchem-2480	348	29	-	-	PUNCT
eurjchem-2480	348	30	consistent	consistent	ADJ
eurjchem-2480	348	31	field	field	NOUN
eurjchem-2480	348	32	solution	solution	NOUN
eurjchem-2480	348	33	.	.	PUNCT
eurjchem-2480	349	1	j.	j.	PROPN
eurjchem-2480	349	2	theor	theor	PROPN
eurjchem-2480	349	3	.	.	PUNCT
eurjchem-2480	350	1	appl	appl	PROPN
eurjchem-2480	350	2	.	.	PUNCT
eurjchem-2480	351	1	phys	phy	NOUN
eurjchem-2480	351	2	.	.	PUNCT
eurjchem-2480	352	1	2013	2013	NUM
eurjchem-2480	352	2	,	,	PUNCT
eurjchem-2480	352	3	7	7	NUM
eurjchem-2480	352	4	,	,	PUNCT
eurjchem-2480	352	5	61	61	NUM
eurjchem-2480	352	6	.	.	PUNCT
eurjchem-2480	353	1	[	[	X
eurjchem-2480	353	2	4	4	NUM
eurjchem-2480	353	3	]	]	PUNCT
eurjchem-2480	353	4	.	.	PUNCT
eurjchem-2480	353	5	kristyan	kristyan	PROPN
eurjchem-2480	353	6	,	,	PUNCT
eurjchem-2480	353	7	s.	s.	PROPN
eurjchem-2480	353	8	properties	property	NOUN
eurjchem-2480	353	9	of	of	ADP
eurjchem-2480	353	10	the	the	DET
eurjchem-2480	353	11	multi	multi	ADJ
eurjchem-2480	353	12	-	-	ADJ
eurjchem-2480	353	13	electron	electron	ADJ
eurjchem-2480	353	14	densities	density	NOUN
eurjchem-2480	353	15	“	"	PUNCT
eurjchem-2480	353	16	between	between	ADP
eurjchem-2480	353	17	”	"	PUNCT
eurjchem-2480	353	18	the	the	DET
eurjchem-2480	353	19	hohenberg	hohenberg	PROPN
eurjchem-2480	353	20	–	–	PUNCT
eurjchem-2480	353	21	kohn	kohn	PROPN
eurjchem-2480	353	22	theorems	theorem	NOUN
eurjchem-2480	353	23	and	and	CCONJ
eurjchem-2480	353	24	variational	variational	ADJ
eurjchem-2480	353	25	principle	principle	NOUN
eurjchem-2480	353	26	.	.	PUNCT
eurjchem-2480	354	1	theochem	theochem	NOUN
eurjchem-2480	354	2	2008	2008	NUM
eurjchem-2480	354	3	,	,	PUNCT
eurjchem-2480	354	4	858	858	NUM
eurjchem-2480	354	5	,	,	PUNCT
eurjchem-2480	354	6	1–11	1–11	PROPN
eurjchem-2480	354	7	.	.	PUNCT
eurjchem-2480	355	1	[	[	X
eurjchem-2480	355	2	5	5	NUM
eurjchem-2480	355	3	]	]	PUNCT
eurjchem-2480	355	4	.	.	PUNCT
eurjchem-2480	355	5	szabó	szabó	PROPN
eurjchem-2480	355	6	,	,	PUNCT
eurjchem-2480	355	7	a.	a.	NOUN
eurjchem-2480	355	8	modern	modern	ADJ
eurjchem-2480	355	9	quantum	quantum	ADJ
eurjchem-2480	355	10	chemistry	chemistry	NOUN
eurjchem-2480	355	11	:	:	PUNCT
eurjchem-2480	355	12	introduction	introduction	NOUN
eurjchem-2480	355	13	to	to	ADP
eurjchem-2480	355	14	advanced	advanced	ADJ
eurjchem-2480	355	15	electronic	electronic	ADJ
eurjchem-2480	355	16	structure	structure	NOUN
eurjchem-2480	355	17	theory	theory	NOUN
eurjchem-2480	355	18	;	;	PUNCT
eurjchem-2480	355	19	collier	collier	PROPN
eurjchem-2480	355	20	macmillan	macmillan	PROPN
eurjchem-2480	355	21	:	:	PUNCT
eurjchem-2480	355	22	new	new	PROPN
eurjchem-2480	355	23	york	york	PROPN
eurjchem-2480	355	24	,	,	PUNCT
eurjchem-2480	355	25	1982	1982	NUM
eurjchem-2480	355	26	.	.	PUNCT
eurjchem-2480	356	1	[	[	X
eurjchem-2480	356	2	6	6	NUM
eurjchem-2480	356	3	]	]	PUNCT
eurjchem-2480	356	4	.	.	PUNCT
eurjchem-2480	357	1	klopper	klopper	PROPN
eurjchem-2480	357	2	,	,	PUNCT
eurjchem-2480	357	3	w.	w.	PROPN
eurjchem-2480	357	4	;	;	PUNCT
eurjchem-2480	357	5	manby	manby	PROPN
eurjchem-2480	357	6	,	,	PUNCT
eurjchem-2480	357	7	f.	f.	PROPN
eurjchem-2480	357	8	r.	r.	PROPN
eurjchem-2480	357	9	;	;	PUNCT
eurjchem-2480	357	10	ten	ten	NUM
eurjchem-2480	357	11	-	-	PUNCT
eurjchem-2480	357	12	no	no	NOUN
eurjchem-2480	357	13	,	,	PUNCT
eurjchem-2480	357	14	s.	s.	PROPN
eurjchem-2480	357	15	;	;	PUNCT
eurjchem-2480	357	16	valeev	valeev	PROPN
eurjchem-2480	357	17	,	,	PUNCT
eurjchem-2480	357	18	e.	e.	PROPN
eurjchem-2480	357	19	f.	f.	PROPN
eurjchem-2480	357	20	r12	r12	PROPN
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eurjchem-2480	357	22	in	in	ADP
eurjchem-2480	357	23	explicitly	explicitly	ADV
eurjchem-2480	357	24	correlated	correlate	VERB
eurjchem-2480	357	25	molecular	molecular	ADJ
eurjchem-2480	357	26	electronic	electronic	ADJ
eurjchem-2480	357	27	structure	structure	NOUN
eurjchem-2480	357	28	theory	theory	NOUN
eurjchem-2480	357	29	.	.	PUNCT
eurjchem-2480	358	1	int	int	NOUN
eurjchem-2480	358	2	.	.	PUNCT
eurjchem-2480	359	1	rev	rev	PROPN
eurjchem-2480	359	2	.	.	PUNCT
eurjchem-2480	360	1	phys	phy	NOUN
eurjchem-2480	360	2	.	.	PUNCT
eurjchem-2480	361	1	chem	chem	PROPN
eurjchem-2480	361	2	.	.	PUNCT
eurjchem-2480	362	1	2006	2006	NUM
eurjchem-2480	362	2	,	,	PUNCT
eurjchem-2480	362	3	25	25	NUM
eurjchem-2480	362	4	,	,	PUNCT
eurjchem-2480	362	5	427–468	427–468	NUM
eurjchem-2480	362	6	.	.	PUNCT
eurjchem-2480	363	1	[	[	X
eurjchem-2480	363	2	7	7	NUM
eurjchem-2480	363	3	]	]	SYM
eurjchem-2480	363	4	.	.	PUNCT
eurjchem-2480	363	5	kristyán	kristyán	PROPN
eurjchem-2480	363	6	,	,	PUNCT
eurjchem-2480	363	7	s.	s.	PROPN
eurjchem-2480	363	8	immediate	immediate	ADJ
eurjchem-2480	363	9	estimation	estimation	NOUN
eurjchem-2480	363	10	of	of	ADP
eurjchem-2480	363	11	correlation	correlation	NOUN
eurjchem-2480	363	12	energy	energy	NOUN
eurjchem-2480	363	13	for	for	ADP
eurjchem-2480	363	14	molecular	molecular	ADJ
eurjchem-2480	363	15	systems	system	NOUN
eurjchem-2480	363	16	from	from	ADP
eurjchem-2480	363	17	the	the	DET
eurjchem-2480	363	18	partial	partial	ADJ
eurjchem-2480	363	19	charges	charge	NOUN
eurjchem-2480	363	20	on	on	ADP
eurjchem-2480	363	21	atoms	atom	NOUN
eurjchem-2480	363	22	in	in	ADP
eurjchem-2480	363	23	the	the	DET
eurjchem-2480	363	24	molecule	molecule	NOUN
eurjchem-2480	363	25	.	.	PUNCT
eurjchem-2480	364	1	chem	chem	NOUN
eurjchem-2480	364	2	.	.	PUNCT
eurjchem-2480	365	1	phys	phy	NOUN
eurjchem-2480	365	2	.	.	PUNCT
eurjchem-2480	366	1	1997	1997	NUM
eurjchem-2480	366	2	,	,	PUNCT
eurjchem-2480	366	3	224	224	NUM
eurjchem-2480	366	4	,	,	PUNCT
eurjchem-2480	366	5	33–51	33–51	NUM
eurjchem-2480	366	6	.	.	PUNCT
eurjchem-2480	367	1	[	[	X
eurjchem-2480	367	2	8	8	NUM
eurjchem-2480	367	3	]	]	SYM
eurjchem-2480	367	4	.	.	PUNCT
eurjchem-2480	368	1	kristyán	kristyán	PROPN
eurjchem-2480	368	2	,	,	PUNCT
eurjchem-2480	368	3	s.	s.	PROPN
eurjchem-2480	368	4	;	;	PUNCT
eurjchem-2480	368	5	pulay	pulay	NOUN
eurjchem-2480	368	6	,	,	PUNCT
eurjchem-2480	368	7	p.	p.	NOUN
eurjchem-2480	368	8	can	can	AUX
eurjchem-2480	369	1	(	(	PUNCT
eurjchem-2480	369	2	semi)local	semi)local	ADJ
eurjchem-2480	369	3	density	density	NOUN
eurjchem-2480	369	4	functional	functional	ADJ
eurjchem-2480	369	5	theory	theory	NOUN
eurjchem-2480	369	6	account	account	VERB
eurjchem-2480	369	7	for	for	ADP
eurjchem-2480	369	8	the	the	DET
eurjchem-2480	369	9	london	london	PROPN
eurjchem-2480	369	10	dispersion	dispersion	NOUN
eurjchem-2480	369	11	forces	force	NOUN
eurjchem-2480	369	12	?	?	PUNCT
eurjchem-2480	370	1	chem	chem	NOUN
eurjchem-2480	370	2	.	.	PUNCT
eurjchem-2480	371	1	phys	phy	NOUN
eurjchem-2480	371	2	.	.	PUNCT
eurjchem-2480	372	1	lett	lett	PROPN
eurjchem-2480	372	2	.	.	PROPN
eurjchem-2480	372	3	1994	1994	NUM
eurjchem-2480	372	4	,	,	PUNCT
eurjchem-2480	372	5	229	229	NUM
eurjchem-2480	372	6	,	,	PUNCT
eurjchem-2480	372	7	175–180	175–180	NUM
eurjchem-2480	372	8	.	.	PUNCT
eurjchem-2480	373	1	[	[	X
eurjchem-2480	373	2	9	9	NUM
eurjchem-2480	373	3	]	]	PUNCT
eurjchem-2480	373	4	.	.	PUNCT
eurjchem-2480	374	1	becke	becke	NOUN
eurjchem-2480	374	2	,	,	PUNCT
eurjchem-2480	374	3	a.	a.	PROPN
eurjchem-2480	374	4	d.	d.	PROPN
eurjchem-2480	374	5	a	a	DET
eurjchem-2480	374	6	multicenter	multicenter	ADJ
eurjchem-2480	374	7	numerical	numerical	ADJ
eurjchem-2480	374	8	integration	integration	NOUN
eurjchem-2480	374	9	scheme	scheme	NOUN
eurjchem-2480	374	10	for	for	ADP
eurjchem-2480	374	11	polyatomic	polyatomic	ADJ
eurjchem-2480	374	12	molecules	molecule	NOUN
eurjchem-2480	374	13	.	.	PUNCT
eurjchem-2480	375	1	j.	j.	PROPN
eurjchem-2480	375	2	chem	chem	PROPN
eurjchem-2480	375	3	.	.	PUNCT
eurjchem-2480	376	1	phys	phy	NOUN
eurjchem-2480	376	2	.	.	PUNCT
eurjchem-2480	377	1	1988	1988	NUM
eurjchem-2480	377	2	,	,	PUNCT
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eurjchem-2480	377	4	,	,	PUNCT
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eurjchem-2480	377	6	.	.	PUNCT
eurjchem-2480	378	1	[	[	X
eurjchem-2480	378	2	10	10	NUM
eurjchem-2480	378	3	]	]	PUNCT
eurjchem-2480	378	4	.	.	PUNCT
eurjchem-2480	379	1	lebedev	lebedev	PROPN
eurjchem-2480	379	2	,	,	PUNCT
eurjchem-2480	379	3	v.	v.	PROPN
eurjchem-2480	379	4	i.	i.	PROPN
eurjchem-2480	379	5	über	über	PROPN
eurjchem-2480	379	6	quadraturen	quadraturen	PROPN
eurjchem-2480	379	7	auf	auf	PROPN
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eurjchem-2480	379	9	sphäre	sphäre	PROPN
eurjchem-2480	379	10	.	.	PUNCT
eurjchem-2480	380	1	zh	zh	PROPN
eurjchem-2480	380	2	.	.	PUNCT
eurjchem-2480	380	3	vychisl	vychisl	PROPN
eurjchem-2480	380	4	.	.	PUNCT
eurjchem-2480	381	1	mat	mat	NOUN
eurjchem-2480	381	2	.	.	PUNCT
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eurjchem-2480	381	4	.	.	PUNCT
eurjchem-2480	381	5	fiz	fiz	PROPN
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eurjchem-2480	381	7	,	,	PUNCT
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eurjchem-2480	381	9	,	,	PUNCT
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eurjchem-2480	381	11	.	.	PUNCT
eurjchem-2480	382	1	[	[	X
eurjchem-2480	382	2	11	11	NUM
eurjchem-2480	382	3	]	]	PUNCT
eurjchem-2480	382	4	.	.	PUNCT
eurjchem-2480	383	1	lebedev	lebedev	PROPN
eurjchem-2480	383	2	,	,	PUNCT
eurjchem-2480	383	3	v.	v.	PROPN
eurjchem-2480	383	4	i.	i.	PROPN
eurjchem-2480	383	5	quadrature	quadrature	PROPN
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eurjchem-2480	383	7	for	for	ADP
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eurjchem-2480	383	9	sphere	sphere	NOUN
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eurjchem-2480	383	11	25th	25th	NOUN
eurjchem-2480	383	12	to	to	ADP
eurjchem-2480	383	13	29th	29th	ADJ
eurjchem-2480	383	14	order	order	NOUN
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eurjchem-2480	383	16	.	.	PUNCT
eurjchem-2480	384	1	sibirsk	sibirsk	NOUN
eurjchem-2480	384	2	.	.	PUNCT
eurjchem-2480	385	1	mat	mat	NOUN
eurjchem-2480	385	2	.	.	PUNCT
eurjchem-2480	386	1	zh	zh	PROPN
eurjchem-2480	386	2	.	.	PROPN
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eurjchem-2480	386	4	,	,	PUNCT
eurjchem-2480	386	5	18	18	NUM
eurjchem-2480	386	6	,	,	PUNCT
eurjchem-2480	386	7	132–142	132–142	NUM
eurjchem-2480	386	8	.	.	PUNCT
eurjchem-2480	387	1	[	[	X
eurjchem-2480	387	2	12	12	NUM
eurjchem-2480	387	3	]	]	PUNCT
eurjchem-2480	387	4	.	.	PUNCT
eurjchem-2480	387	5	kristyan	kristyan	PROPN
eurjchem-2480	387	6	,	,	PUNCT
eurjchem-2480	387	7	s.	s.	PROPN
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eurjchem-2480	387	10	energy	energy	NOUN
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eurjchem-2480	387	12	basis	basis	NOUN
eurjchem-2480	387	13	set	set	NOUN
eurjchem-2480	387	14	error	error	NOUN
eurjchem-2480	387	15	for	for	ADP
eurjchem-2480	387	16	hartree	hartree	ADJ
eurjchem-2480	387	17	–	–	PUNCT
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eurjchem-2480	387	20	scf	scf	NOUN
eurjchem-2480	387	21	calculation	calculation	NOUN
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eurjchem-2480	387	24	during	during	ADP
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eurjchem-2480	387	26	scf	scf	PROPN
eurjchem-2480	387	27	subroutine	subroutine	NOUN
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eurjchem-2480	387	30	only	only	ADV
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eurjchem-2480	387	32	few	few	ADJ
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eurjchem-2480	387	34	lines	line	NOUN
eurjchem-2480	387	35	,	,	PUNCT
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eurjchem-2480	387	37	analytical	analytical	ADJ
eurjchem-2480	387	38	integration	integration	NOUN
eurjchem-2480	387	39	and	and	CCONJ
eurjchem-2480	387	40	no	no	DET
eurjchem-2480	387	41	extra	extra	ADJ
eurjchem-2480	387	42	cpu	cpu	NOUN
eurjchem-2480	387	43	time	time	NOUN
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eurjchem-2480	387	45	no	no	DET
eurjchem-2480	387	46	extra	extra	ADJ
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eurjchem-2480	387	49	.	.	PUNCT
eurjchem-2480	388	1	comput	comput	NOUN
eurjchem-2480	388	2	.	.	PUNCT
eurjchem-2480	389	1	theor	theor	PROPN
eurjchem-2480	389	2	.	.	PUNCT
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eurjchem-2480	389	4	.	.	PUNCT
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eurjchem-2480	390	2	,	,	PUNCT
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eurjchem-2480	390	4	,	,	PUNCT
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eurjchem-2480	390	6	.	.	PUNCT
eurjchem-2480	391	1	[	[	X
eurjchem-2480	391	2	13	13	NUM
eurjchem-2480	391	3	]	]	PUNCT
eurjchem-2480	391	4	.	.	PUNCT
eurjchem-2480	392	1	kristyan	kristyan	PROPN
eurjchem-2480	392	2	,	,	PUNCT
eurjchem-2480	392	3	s.	s.	PROPN
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eurjchem-2480	392	6	non	non	ADJ
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eurjchem-2480	392	12	with	with	ADP
eurjchem-2480	392	13	switching	switch	VERB
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eurjchem-2480	392	16	-	-	PUNCT
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eurjchem-2480	392	22	on	on	ADV
eurjchem-2480	392	23	.	.	PUNCT
eurjchem-2480	393	1	in	in	ADP
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eurjchem-2480	393	3	conference	conference	NOUN
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eurjchem-2480	393	5	numerical	numerical	ADJ
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eurjchem-2480	393	7	and	and	CCONJ
eurjchem-2480	393	8	applied	apply	VERB
eurjchem-2480	393	9	mathematics	mathematic	NOUN
eurjchem-2480	393	10	icnaam	icnaam	NOUN
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eurjchem-2480	393	12	;	;	PUNCT
eurjchem-2480	393	13	aip	aip	PROPN
eurjchem-2480	393	14	publishing	publishing	NOUN
eurjchem-2480	393	15	:	:	PUNCT
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eurjchem-2480	393	17	,	,	PUNCT
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eurjchem-2480	393	19	,	,	PUNCT
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eurjchem-2480	393	21	,	,	PUNCT
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eurjchem-2480	393	23	.	.	PUNCT
eurjchem-2480	394	1	[	[	X
eurjchem-2480	394	2	14	14	NUM
eurjchem-2480	394	3	]	]	PUNCT
eurjchem-2480	394	4	.	.	PUNCT
eurjchem-2480	395	1	kristyan	kristyan	PROPN
eurjchem-2480	395	2	,	,	PUNCT
eurjchem-2480	395	3	s.	s.	PROPN
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eurjchem-2480	395	5	evaluation	evaluation	NOUN
eurjchem-2480	395	6	for	for	ADP
eurjchem-2480	395	7	integrals	integral	NOUN
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eurjchem-2480	395	9	product	product	NOUN
eurjchem-2480	395	10	gaussians	gaussian	NOUN
eurjchem-2480	395	11	with	with	ADP
eurjchem-2480	395	12	different	different	ADJ
eurjchem-2480	395	13	moments	moment	NOUN
eurjchem-2480	395	14	of	of	ADP
eurjchem-2480	395	15	distance	distance	NOUN
eurjchem-2480	395	16	operators	operator	NOUN
eurjchem-2480	395	17	(	(	PUNCT
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eurjchem-2480	395	19	,	,	PUNCT
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eurjchem-2480	395	21	and	and	CCONJ
eurjchem-2480	395	22	r12−n	r12−n	PROPN
eurjchem-2480	395	23	r13−m	r13−m	NOUN
eurjchem-2480	395	24	with	with	ADP
eurjchem-2480	395	25	n	n	CCONJ
eurjchem-2480	395	26	,	,	PUNCT
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eurjchem-2480	395	34	for	for	ADP
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eurjchem-2480	395	36	,	,	PUNCT
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eurjchem-2480	395	38	and	and	CCONJ
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eurjchem-2480	395	40	-	-	PUNCT
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eurjchem-2480	395	43	.	.	PUNCT
eurjchem-2480	396	1	in	in	ADP
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eurjchem-2480	396	5	;	;	PUNCT
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eurjchem-2480	396	7	):	):	PUNCT
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eurjchem-2480	396	9	,	,	PUNCT
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eurjchem-2480	396	11	,	,	PUNCT
eurjchem-2480	396	12	470030	470030	NUM
eurjchem-2480	396	13	,	,	PUNCT
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eurjchem-2480	396	15	.	.	PUNCT
eurjchem-2480	397	1	[	[	X
eurjchem-2480	397	2	15	15	NUM
eurjchem-2480	397	3	]	]	PUNCT
eurjchem-2480	397	4	.	.	PUNCT
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eurjchem-2480	398	3	s.	s.	PROPN
eurjchem-2480	398	4	;	;	PUNCT
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eurjchem-2480	398	6	,	,	PUNCT
eurjchem-2480	398	7	t.	t.	PROPN
eurjchem-2480	398	8	;	;	PUNCT
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eurjchem-2480	398	10	,	,	PUNCT
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eurjchem-2480	398	13	-	-	ADJ
eurjchem-2480	398	14	electron	electron	NOUN
eurjchem-2480	398	15	integrals	integral	NOUN
eurjchem-2480	398	16	.	.	PUNCT
eurjchem-2480	399	1	wiley	wiley	PROPN
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eurjchem-2480	399	3	.	.	PUNCT
eurjchem-2480	400	1	rev	rev	PROPN
eurjchem-2480	400	2	.	.	PROPN
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eurjchem-2480	400	4	.	.	PUNCT
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eurjchem-2480	401	2	.	.	PUNCT
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eurjchem-2480	402	2	.	.	PROPN
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eurjchem-2480	403	1	[	[	X
eurjchem-2480	403	2	16	16	NUM
eurjchem-2480	403	3	]	]	PUNCT
eurjchem-2480	403	4	.	.	PUNCT
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eurjchem-2480	404	3	s.	s.	PROPN
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eurjchem-2480	404	29	electronic	electronic	ADJ
eurjchem-2480	404	30	energy	energy	NOUN
eurjchem-2480	404	31	.	.	PUNCT
eurjchem-2480	405	1	int	int	NOUN
eurjchem-2480	405	2	.	.	PUNCT
eurjchem-2480	406	1	j.	j.	PROPN
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eurjchem-2480	406	4	.	.	PUNCT
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eurjchem-2480	407	2	,	,	PUNCT
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eurjchem-2480	407	4	,	,	PUNCT
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eurjchem-2480	407	6	.	.	PUNCT
eurjchem-2480	408	1	[	[	X
eurjchem-2480	408	2	17	17	NUM
eurjchem-2480	408	3	]	]	PUNCT
eurjchem-2480	408	4	.	.	PUNCT
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eurjchem-2480	409	12	2	2	NUM
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eurjchem-2480	409	17	,	,	PUNCT
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eurjchem-2480	409	22	m	m	PROPN
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eurjchem-2480	409	24	rc1	rc1	PROPN
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eurjchem-2480	409	28	m	m	PROPN
eurjchem-2480	409	29	and	and	CCONJ
eurjchem-2480	409	30	r12nr13	r12nr13	PROPN
eurjchem-2480	409	31	-	-	PROPN
eurjchem-2480	409	32	m	m	PROPN
eurjchem-2480	409	33	with	with	ADP
eurjchem-2480	409	34	real	real	ADJ
eurjchem-2480	409	35	(	(	PUNCT
eurjchem-2480	409	36	n	n	X
eurjchem-2480	409	37	,	,	PUNCT
eurjchem-2480	409	38	m	m	NOUN
eurjchem-2480	409	39	)	)	PUNCT
eurjchem-2480	409	40	and	and	CCONJ
eurjchem-2480	409	41	the	the	DET
eurjchem-2480	409	42	descartes	descartes	PROPN
eurjchem-2480	409	43	product	product	NOUN
eurjchem-2480	409	44	of	of	ADP
eurjchem-2480	409	45	3	3	NUM
eurjchem-2480	409	46	dimension	dimension	NOUN
eurjchem-2480	409	47	common	common	ADJ
eurjchem-2480	409	48	density	density	NOUN
eurjchem-2480	409	49	functional	functional	ADJ
eurjchem-2480	409	50	numerical	numerical	ADJ
eurjchem-2480	409	51	integration	integration	NOUN
eurjchem-2480	409	52	scheme	scheme	NOUN
eurjchem-2480	409	53	.	.	PUNCT
eurjchem-2480	410	1	in	in	ADP
eurjchem-2480	410	2	aip	aip	PROPN
eurjchem-2480	410	3	conference	conference	NOUN
eurjchem-2480	410	4	proceedings	proceeding	NOUN
eurjchem-2480	410	5	;	;	PUNCT
eurjchem-2480	410	6	aip	aip	PROPN
eurjchem-2480	410	7	publishing	publishing	NOUN
eurjchem-2480	410	8	:	:	PUNCT
eurjchem-2480	410	9	https://doi.org/10.1063/1.5114496	https://doi.org/10.1063/1.5114496	PROPN
eurjchem-2480	410	10	,	,	PUNCT
eurjchem-2480	410	11	2116	2116	NUM
eurjchem-2480	410	12	,	,	PUNCT
eurjchem-2480	410	13	450029	450029	NUM
eurjchem-2480	410	14	,	,	PUNCT
eurjchem-2480	410	15	2019	2019	NUM
eurjchem-2480	410	16	.	.	PUNCT
eurjchem-2480	411	1	[	[	X
eurjchem-2480	411	2	18	18	NUM
eurjchem-2480	411	3	]	]	SYM
eurjchem-2480	411	4	.	.	PUNCT
eurjchem-2480	412	1	kristyán	kristyán	PROPN
eurjchem-2480	412	2	,	,	PUNCT
eurjchem-2480	412	3	s.	s.	PROPN
eurjchem-2480	412	4	note	note	VERB
eurjchem-2480	412	5	on	on	ADP
eurjchem-2480	412	6	the	the	DET
eurjchem-2480	412	7	choice	choice	NOUN
eurjchem-2480	412	8	of	of	ADP
eurjchem-2480	412	9	basis	basis	NOUN
eurjchem-2480	412	10	set	set	VERB
eurjchem-2480	412	11	in	in	ADP
eurjchem-2480	412	12	density	density	NOUN
eurjchem-2480	412	13	functional	functional	ADJ
eurjchem-2480	412	14	theory	theory	NOUN
eurjchem-2480	412	15	calculations	calculation	NOUN
eurjchem-2480	412	16	for	for	ADP
eurjchem-2480	412	17	electronic	electronic	ADJ
eurjchem-2480	412	18	structures	structure	NOUN
eurjchem-2480	412	19	of	of	ADP
eurjchem-2480	412	20	molecules	molecule	NOUN
eurjchem-2480	412	21	(	(	PUNCT
eurjchem-2480	412	22	test	test	NOUN
eurjchem-2480	412	23	on	on	ADP
eurjchem-2480	412	24	the	the	DET
eurjchem-2480	412	25	atoms	atom	NOUN
eurjchem-2480	412	26	from	from	ADP
eurjchem-2480	412	27	the	the	DET
eurjchem-2480	412	28	first	first	ADJ
eurjchem-2480	412	29	three	three	NUM
eurjchem-2480	412	30	rows	row	NOUN
eurjchem-2480	412	31	of	of	ADP
eurjchem-2480	412	32	the	the	DET
eurjchem-2480	412	33	periodic	periodic	ADJ
eurjchem-2480	412	34	table	table	NOUN
eurjchem-2480	412	35	(	(	PUNCT
eurjchem-2480	412	36	2	2	NUM
eurjchem-2480	412	37	⩽	⩽	NOUN
eurjchem-2480	412	38	n	n	CCONJ
eurjchem-2480	412	39	⩽	⩽	PROPN
eurjchem-2480	412	40	z	z	PROPN
eurjchem-2480	412	41	⩽	⩽	PROPN
eurjchem-2480	412	42	18	18	NUM
eurjchem-2480	412	43	)	)	PUNCT
eurjchem-2480	412	44	,	,	PUNCT
eurjchem-2480	412	45	water	water	NOUN
eurjchem-2480	412	46	,	,	PUNCT
eurjchem-2480	412	47	ammonia	ammonia	NOUN
eurjchem-2480	412	48	and	and	CCONJ
eurjchem-2480	412	49	pyrrole	pyrrole	NOUN
eurjchem-2480	412	50	)	)	PUNCT
eurjchem-2480	412	51	.	.	PUNCT
eurjchem-2480	413	1	chem	chem	NOUN
eurjchem-2480	413	2	.	.	PUNCT
eurjchem-2480	414	1	phys	phy	NOUN
eurjchem-2480	414	2	.	.	PUNCT
eurjchem-2480	415	1	lett	lett	PROPN
eurjchem-2480	415	2	.	.	PUNCT
eurjchem-2480	415	3	1995	1995	NUM
eurjchem-2480	415	4	,	,	PUNCT
eurjchem-2480	415	5	247	247	NUM
eurjchem-2480	415	6	,	,	PUNCT
eurjchem-2480	415	7	101–111	101–111	NUM
eurjchem-2480	415	8	.	.	PUNCT
eurjchem-2480	416	1	[	[	X
eurjchem-2480	416	2	19	19	NUM
eurjchem-2480	416	3	]	]	PUNCT
eurjchem-2480	416	4	.	.	PUNCT
eurjchem-2480	417	1	peng	peng	PROPN
eurjchem-2480	417	2	,	,	PUNCT
eurjchem-2480	417	3	z.	z.	PROPN
eurjchem-2480	417	4	;	;	PUNCT
eurjchem-2480	417	5	kristyan	kristyan	PROPN
eurjchem-2480	417	6	,	,	PUNCT
eurjchem-2480	417	7	s.	s.	PROPN
eurjchem-2480	417	8	;	;	PUNCT
eurjchem-2480	417	9	kuppermann	kuppermann	PROPN
eurjchem-2480	417	10	,	,	PUNCT
eurjchem-2480	417	11	a.	a.	PROPN
eurjchem-2480	417	12	;	;	PUNCT
eurjchem-2480	417	13	wright	wright	PROPN
eurjchem-2480	417	14	,	,	PUNCT
eurjchem-2480	417	15	j.	j.	PROPN
eurjchem-2480	417	16	s.	s.	PROPN
eurjchem-2480	417	17	excited	excite	VERB
eurjchem-2480	417	18	electronic	electronic	ADJ
eurjchem-2480	417	19	potential	potential	ADJ
eurjchem-2480	417	20	-	-	PUNCT
eurjchem-2480	417	21	energy	energy	NOUN
eurjchem-2480	417	22	surfaces	surface	NOUN
eurjchem-2480	417	23	and	and	CCONJ
eurjchem-2480	417	24	transition	transition	NOUN
eurjchem-2480	417	25	moments	moment	NOUN
eurjchem-2480	417	26	for	for	ADP
eurjchem-2480	417	27	theh3system	theh3system	NOUN
eurjchem-2480	417	28	.	.	PUNCT
eurjchem-2480	418	1	phys	phy	NOUN
eurjchem-2480	418	2	.	.	PUNCT
eurjchem-2480	419	1	rev	rev	PROPN
eurjchem-2480	419	2	.	.	PUNCT
eurjchem-2480	420	1	a	a	DET
eurjchem-2480	420	2	1995	1995	NUM
eurjchem-2480	420	3	,	,	PUNCT
eurjchem-2480	420	4	52	52	NUM
eurjchem-2480	420	5	,	,	PUNCT
eurjchem-2480	420	6	1005–1023	1005–1023	NUM
eurjchem-2480	420	7	.	.	PUNCT
eurjchem-2480	421	1	[	[	X
eurjchem-2480	421	2	20	20	NUM
eurjchem-2480	421	3	]	]	PUNCT
eurjchem-2480	421	4	.	.	PUNCT
eurjchem-2480	421	5	kristyán	kristyán	PROPN
eurjchem-2480	421	6	,	,	PUNCT
eurjchem-2480	421	7	s.	s.	PROPN
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eurjchem-2480	421	9	analysis	analysis	NOUN
eurjchem-2480	421	10	of	of	ADP
eurjchem-2480	421	11	the	the	DET
eurjchem-2480	421	12	dependence	dependence	NOUN
eurjchem-2480	421	13	of	of	ADP
eurjchem-2480	421	14	correlation	correlation	NOUN
eurjchem-2480	421	15	energy	energy	NOUN
eurjchem-2480	421	16	and	and	CCONJ
eurjchem-2480	421	17	zero	zero	NUM
eurjchem-2480	421	18	point	point	NOUN
eurjchem-2480	421	19	energy	energy	NOUN
eurjchem-2480	421	20	on	on	ADP
eurjchem-2480	421	21	the	the	DET
eurjchem-2480	421	22	nuclear	nuclear	ADJ
eurjchem-2480	421	23	frame	frame	NOUN
eurjchem-2480	421	24	and	and	CCONJ
eurjchem-2480	421	25	number	number	NOUN
eurjchem-2480	421	26	of	of	ADP
eurjchem-2480	421	27	electrons	electron	NOUN
eurjchem-2480	421	28	in	in	ADP
eurjchem-2480	421	29	molecular	molecular	ADJ
eurjchem-2480	421	30	systems	system	NOUN
eurjchem-2480	421	31	.	.	PUNCT
eurjchem-2480	422	1	theochem	theochem	NOUN
eurjchem-2480	422	2	2004	2004	NUM
eurjchem-2480	422	3	,	,	PUNCT
eurjchem-2480	422	4	712	712	NUM
eurjchem-2480	422	5	,	,	PUNCT
eurjchem-2480	422	6	153–158	153–158	NUM
eurjchem-2480	422	7	.	.	PUNCT
eurjchem-2480	423	1	[	[	X
eurjchem-2480	423	2	21	21	NUM
eurjchem-2480	423	3	]	]	PUNCT
eurjchem-2480	423	4	.	.	PUNCT
eurjchem-2480	423	5	kristyán	kristyán	PROPN
eurjchem-2480	423	6	,	,	PUNCT
eurjchem-2480	423	7	s.	s.	PROPN
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eurjchem-2480	423	9	can	can	AUX
eurjchem-2480	423	10	(	(	PUNCT
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eurjchem-2480	423	13	functional	functional	ADJ
eurjchem-2480	423	14	theory	theory	NOUN
eurjchem-2480	423	15	account	account	VERB
eurjchem-2480	423	16	for	for	ADP
eurjchem-2480	423	17	the	the	DET
eurjchem-2480	423	18	ground	ground	NOUN
eurjchem-2480	423	19	-	-	PUNCT
eurjchem-2480	423	20	state	state	NOUN
eurjchem-2480	423	21	total	total	ADJ
eurjchem-2480	423	22	energy	energy	NOUN
eurjchem-2480	423	23	of	of	ADP
eurjchem-2480	423	24	highly	highly	ADV
eurjchem-2480	423	25	ionized	ionized	ADJ
eurjchem-2480	423	26	atoms	atom	NOUN
eurjchem-2480	423	27	of	of	ADP
eurjchem-2480	423	28	the	the	DET
eurjchem-2480	423	29	first	first	ADJ
eurjchem-2480	423	30	three	three	NUM
eurjchem-2480	423	31	periods	period	NOUN
eurjchem-2480	423	32	in	in	ADP
eurjchem-2480	423	33	the	the	DET
eurjchem-2480	423	34	periodic	periodic	ADJ
eurjchem-2480	423	35	table	table	NOUN
eurjchem-2480	423	36	?	?	PUNCT
eurjchem-2480	424	1	j.	j.	PROPN
eurjchem-2480	424	2	chem	chem	PROPN
eurjchem-2480	424	3	.	.	PUNCT
eurjchem-2480	425	1	phys	phy	NOUN
eurjchem-2480	425	2	.	.	PUNCT
eurjchem-2480	426	1	1995	1995	NUM
eurjchem-2480	426	2	,	,	PUNCT
eurjchem-2480	426	3	102	102	NUM
eurjchem-2480	426	4	,	,	PUNCT
eurjchem-2480	426	5	278–284	278–284	NUM
eurjchem-2480	426	6	.	.	PUNCT
eurjchem-2480	427	1	[	[	X
eurjchem-2480	427	2	22	22	NUM
eurjchem-2480	427	3	]	]	PUNCT
eurjchem-2480	427	4	.	.	PUNCT
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eurjchem-2480	428	3	a.	a.	NOUN
eurjchem-2480	428	4	;	;	PUNCT
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eurjchem-2480	428	6	,	,	PUNCT
eurjchem-2480	428	7	s.	s.	PROPN
eurjchem-2480	428	8	;	;	PUNCT
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eurjchem-2480	428	10	,	,	PUNCT
eurjchem-2480	428	11	j.	j.	PROPN
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eurjchem-2480	428	17	i.	i.	PROPN
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eurjchem-2480	428	21	zero	zero	NUM
eurjchem-2480	428	22	-	-	PUNCT
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eurjchem-2480	428	24	energies	energy	NOUN
eurjchem-2480	428	25	of	of	ADP
eurjchem-2480	428	26	molecules	molecule	NOUN
eurjchem-2480	428	27	using	use	VERB
eurjchem-2480	428	28	hartree−fock	hartree−fock	NOUN
eurjchem-2480	428	29	atomic	atomic	ADJ
eurjchem-2480	428	30	partial	partial	ADJ
eurjchem-2480	428	31	charges	charge	NOUN
eurjchem-2480	428	32	.	.	PUNCT
eurjchem-2480	429	1	j.	j.	PROPN
eurjchem-2480	429	2	phys	phys	PROPN
eurjchem-2480	429	3	.	.	PUNCT
eurjchem-2480	430	1	chem	chem	PROPN
eurjchem-2480	430	2	.	.	PUNCT
eurjchem-2480	431	1	a	a	DET
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eurjchem-2480	431	3	,	,	PUNCT
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eurjchem-2480	431	5	,	,	PUNCT
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eurjchem-2480	431	7	.	.	PUNCT
eurjchem-2480	432	1	[	[	X
eurjchem-2480	432	2	23	23	NUM
eurjchem-2480	432	3	]	]	PUNCT
eurjchem-2480	432	4	.	.	PUNCT
eurjchem-2480	433	1	curtiss	curtiss	PROPN
eurjchem-2480	433	2	,	,	PUNCT
eurjchem-2480	433	3	l.	l.	PROPN
eurjchem-2480	433	4	a.	a.	PROPN
eurjchem-2480	433	5	;	;	PUNCT
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eurjchem-2480	433	7	,	,	PUNCT
eurjchem-2480	433	8	k.	k.	PROPN
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eurjchem-2480	433	25	firstand	firstand	NOUN
eurjchem-2480	433	26	second	second	ADJ
eurjchem-2480	433	27	-	-	PUNCT
eurjchem-2480	433	28	row	row	NOUN
eurjchem-2480	433	29	compounds	compound	NOUN
eurjchem-2480	433	30	.	.	PUNCT
eurjchem-2480	434	1	j.	j.	PROPN
eurjchem-2480	434	2	chem	chem	PROPN
eurjchem-2480	434	3	.	.	PUNCT
eurjchem-2480	435	1	phys	phy	NOUN
eurjchem-2480	435	2	.	.	PUNCT
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eurjchem-2480	436	2	,	,	PUNCT
eurjchem-2480	436	3	94	94	NUM
eurjchem-2480	436	4	,	,	PUNCT
eurjchem-2480	436	5	7221–7230	7221–7230	NUM
eurjchem-2480	436	6	.	.	PUNCT
eurjchem-2480	437	1	[	[	X
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eurjchem-2480	437	4	.	.	PUNCT
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eurjchem-2480	437	7	e.	e.	PROPN
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eurjchem-2480	437	9	;	;	PUNCT
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eurjchem-2480	437	32	correlation	correlation	NOUN
eurjchem-2480	437	33	energies	energy	NOUN
eurjchem-2480	437	34	for	for	ADP
eurjchem-2480	437	35	twoto	twoto	ADJ
eurjchem-2480	437	36	ten	ten	NUM
eurjchem-2480	437	37	-	-	PUNCT
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eurjchem-2480	437	39	atomic	atomic	ADJ
eurjchem-2480	437	40	ions	ion	NOUN
eurjchem-2480	437	41	.	.	PUNCT
eurjchem-2480	438	1	phys	phy	NOUN
eurjchem-2480	438	2	.	.	PUNCT
eurjchem-2480	439	1	rev	rev	PROPN
eurjchem-2480	439	2	.	.	PUNCT
eurjchem-2480	440	1	a	a	DET
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eurjchem-2480	440	3	,	,	PUNCT
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eurjchem-2480	440	7	.	.	PUNCT
eurjchem-2480	441	1	[	[	X
eurjchem-2480	441	2	25	25	NUM
eurjchem-2480	441	3	]	]	PUNCT
eurjchem-2480	441	4	.	.	PUNCT
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eurjchem-2480	441	6	,	,	PUNCT
eurjchem-2480	441	7	s.	s.	PROPN
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eurjchem-2480	441	9	properties	property	NOUN
eurjchem-2480	441	10	of	of	ADP
eurjchem-2480	441	11	thomas	thomas	PROPN
eurjchem-2480	441	12	–	–	PUNCT
eurjchem-2480	441	13	fermi	fermi	NOUN
eurjchem-2480	441	14	kinetic	kinetic	NOUN
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eurjchem-2480	441	16	parr	parr	PROPN
eurjchem-2480	441	17	electron	electron	NOUN
eurjchem-2480	441	18	–	–	PUNCT
eurjchem-2480	441	19	electron	electron	NOUN
eurjchem-2480	441	20	-	-	PUNCT
eurjchem-2480	441	21	repulsion	repulsion	NOUN
eurjchem-2480	441	22	dft	dft	NOUN
eurjchem-2480	441	23	energy	energy	NOUN
eurjchem-2480	441	24	functional	functional	ADJ
eurjchem-2480	441	25	generated	generate	VERB
eurjchem-2480	441	26	compact	compact	ADJ
eurjchem-2480	441	27	one	one	NUM
eurjchem-2480	441	28	-	-	PUNCT
eurjchem-2480	441	29	electron	electron	NOUN
eurjchem-2480	441	30	density	density	NOUN
eurjchem-2480	441	31	approximation	approximation	NOUN
eurjchem-2480	441	32	for	for	ADP
eurjchem-2480	441	33	ground	ground	NOUN
eurjchem-2480	441	34	-	-	PUNCT
eurjchem-2480	441	35	state	state	NOUN
eurjchem-2480	441	36	electronic	electronic	ADJ
eurjchem-2480	441	37	energy	energy	NOUN
eurjchem-2480	441	38	of	of	ADP
eurjchem-2480	441	39	molecular	molecular	ADJ
eurjchem-2480	441	40	systems	system	NOUN
eurjchem-2480	441	41	.	.	PUNCT
eurjchem-2480	442	1	j.	j.	PROPN
eurjchem-2480	442	2	comput	comput	PROPN
eurjchem-2480	442	3	.	.	PUNCT
eurjchem-2480	443	1	chem	chem	NOUN
eurjchem-2480	443	2	.	.	PUNCT
eurjchem-2480	444	1	2009	2009	NUM
eurjchem-2480	444	2	,	,	PUNCT
eurjchem-2480	444	3	30	30	NUM
eurjchem-2480	444	4	,	,	PUNCT
eurjchem-2480	444	5	1445–1453	1445–1453	NUM
eurjchem-2480	444	6	.	.	PUNCT
eurjchem-2480	445	1	[	[	X
eurjchem-2480	445	2	26	26	NUM
eurjchem-2480	445	3	]	]	PUNCT
eurjchem-2480	445	4	.	.	PUNCT
eurjchem-2480	446	1	ratuchne	ratuchne	PROPN
eurjchem-2480	446	2	,	,	PUNCT
eurjchem-2480	446	3	f.	f.	PROPN
eurjchem-2480	446	4	;	;	PUNCT
eurjchem-2480	446	5	celeste	celeste	PROPN
eurjchem-2480	446	6	,	,	PUNCT
eurjchem-2480	446	7	r.	r.	PROPN
eurjchem-2480	446	8	neutral	neutral	ADJ
eurjchem-2480	446	9	atoms	atom	NOUN
eurjchem-2480	446	10	and	and	CCONJ
eurjchem-2480	446	11	ion	ion	NOUN
eurjchem-2480	446	12	energies	energy	NOUN
eurjchem-2480	446	13	,	,	PUNCT
eurjchem-2480	446	14	accurate	accurate	ADJ
eurjchem-2480	446	15	ionization	ionization	NOUN
eurjchem-2480	446	16	potential	potential	NOUN
eurjchem-2480	446	17	,	,	PUNCT
eurjchem-2480	446	18	and	and	CCONJ
eurjchem-2480	446	19	electron	electron	NOUN
eurjchem-2480	446	20	affinities	affinity	NOUN
eurjchem-2480	446	21	by	by	ADP
eurjchem-2480	446	22	polynomial	polynomial	ADJ
eurjchem-2480	446	23	generator	generator	NOUN
eurjchem-2480	446	24	coordinate	coordinate	NOUN
eurjchem-2480	446	25	hartree	hartree	ADJ
eurjchem-2480	446	26	–	–	PUNCT
eurjchem-2480	446	27	fock	fock	ADJ
eurjchem-2480	446	28	method	method	NOUN
eurjchem-2480	446	29	.	.	PUNCT
eurjchem-2480	447	1	turk	turk	PROPN
eurjchem-2480	447	2	.	.	PUNCT
eurjchem-2480	448	1	j.	j.	PROPN
eurjchem-2480	448	2	chem	chem	PROPN
eurjchem-2480	448	3	.	.	PUNCT
eurjchem-2480	449	1	2018	2018	NUM
eurjchem-2480	449	2	,	,	PUNCT
eurjchem-2480	449	3	42	42	NUM
eurjchem-2480	449	4	,	,	PUNCT
eurjchem-2480	449	5	1678–1686	1678–1686	NUM
eurjchem-2480	449	6	.	.	PUNCT
eurjchem-2480	450	1	[	[	X
eurjchem-2480	450	2	27	27	NUM
eurjchem-2480	450	3	]	]	PUNCT
eurjchem-2480	450	4	.	.	PUNCT
eurjchem-2480	451	1	irikura	irikura	PROPN
eurjchem-2480	451	2	,	,	PUNCT
eurjchem-2480	451	3	k.	k.	PROPN
eurjchem-2480	451	4	k.	k.	PROPN
eurjchem-2480	452	1	experimental	experimental	PROPN
eurjchem-2480	452	2	vibrational	vibrational	PROPN
eurjchem-2480	452	3	zero	zero	NUM
eurjchem-2480	452	4	-	-	PUNCT
eurjchem-2480	452	5	point	point	NOUN
eurjchem-2480	452	6	energies	energy	NOUN
eurjchem-2480	452	7	:	:	PUNCT
eurjchem-2480	452	8	diatomic	diatomic	ADJ
eurjchem-2480	452	9	molecules	molecule	NOUN
eurjchem-2480	452	10	.	.	PUNCT
eurjchem-2480	453	1	j.	j.	PROPN
eurjchem-2480	453	2	phys	phys	PROPN
eurjchem-2480	453	3	.	.	PUNCT
eurjchem-2480	454	1	chem	chem	PROPN
eurjchem-2480	454	2	.	.	PUNCT
eurjchem-2480	455	1	ref	ref	NOUN
eurjchem-2480	455	2	.	.	PUNCT
eurjchem-2480	456	1	data	datum	NOUN
eurjchem-2480	456	2	2007	2007	NUM
eurjchem-2480	456	3	,	,	PUNCT
eurjchem-2480	456	4	36	36	NUM
eurjchem-2480	456	5	,	,	PUNCT
eurjchem-2480	456	6	389–397	389–397	NUM
eurjchem-2480	456	7	.	.	PUNCT
eurjchem-2480	457	1	[	[	X
eurjchem-2480	457	2	28	28	NUM
eurjchem-2480	457	3	]	]	PUNCT
eurjchem-2480	457	4	.	.	PUNCT
eurjchem-2480	458	1	milgrom	milgrom	ADJ
eurjchem-2480	458	2	,	,	PUNCT
eurjchem-2480	458	3	m.	m.	NOUN
eurjchem-2480	458	4	a	a	DET
eurjchem-2480	458	5	modification	modification	NOUN
eurjchem-2480	458	6	of	of	ADP
eurjchem-2480	458	7	the	the	DET
eurjchem-2480	458	8	newtonian	newtonian	ADJ
eurjchem-2480	458	9	dynamics	dynamic	NOUN
eurjchem-2480	458	10	as	as	ADP
eurjchem-2480	458	11	a	a	DET
eurjchem-2480	458	12	possible	possible	ADJ
eurjchem-2480	458	13	alternative	alternative	NOUN
eurjchem-2480	458	14	to	to	ADP
eurjchem-2480	458	15	the	the	DET
eurjchem-2480	458	16	hidden	hide	VERB
eurjchem-2480	458	17	mass	mass	ADJ
eurjchem-2480	458	18	hypothesis	hypothesis	NOUN
eurjchem-2480	458	19	.	.	PUNCT
eurjchem-2480	459	1	astrophys	astrophys	PROPN
eurjchem-2480	459	2	.	.	PUNCT
eurjchem-2480	460	1	j.	j.	PROPN
eurjchem-2480	460	2	1983	1983	PROPN
eurjchem-2480	460	3	,	,	PUNCT
eurjchem-2480	460	4	270	270	NUM
eurjchem-2480	460	5	,	,	PUNCT
eurjchem-2480	460	6	365–370	365–370	NUM
eurjchem-2480	460	7	.	.	PUNCT
eurjchem-2480	461	1	[	[	X
eurjchem-2480	461	2	29	29	NUM
eurjchem-2480	461	3	]	]	PUNCT
eurjchem-2480	461	4	.	.	PUNCT
eurjchem-2480	462	1	mordell	mordell	PROPN
eurjchem-2480	462	2	,	,	PUNCT
eurjchem-2480	462	3	l.	l.	PROPN
eurjchem-2480	462	4	j.	j.	PROPN
eurjchem-2480	462	5	on	on	ADP
eurjchem-2480	462	6	the	the	DET
eurjchem-2480	462	7	rational	rational	ADJ
eurjchem-2480	462	8	solutions	solution	NOUN
eurjchem-2480	462	9	of	of	ADP
eurjchem-2480	462	10	the	the	DET
eurjchem-2480	462	11	indeterminate	indeterminate	ADJ
eurjchem-2480	462	12	equations	equation	NOUN
eurjchem-2480	462	13	of	of	ADP
eurjchem-2480	462	14	the	the	DET
eurjchem-2480	462	15	third	third	ADJ
eurjchem-2480	462	16	and	and	CCONJ
eurjchem-2480	462	17	fourth	fourth	ADJ
eurjchem-2480	462	18	degrees	degree	NOUN
eurjchem-2480	462	19	.	.	PUNCT
eurjchem-2480	463	1	proc	proc	PROPN
eurjchem-2480	463	2	.	.	PUNCT
eurjchem-2480	464	1	cambridge	cambridge	PROPN
eurjchem-2480	464	2	philos	philos	PROPN
eurjchem-2480	464	3	.	.	PUNCT
eurjchem-2480	464	4	soc	soc	PROPN
eurjchem-2480	464	5	.	.	PUNCT
eurjchem-2480	465	1	1922	1922	NUM
eurjchem-2480	465	2	,	,	PUNCT
eurjchem-2480	465	3	21	21	NUM
eurjchem-2480	465	4	,	,	PUNCT
eurjchem-2480	465	5	179–192	179–192	NUM
eurjchem-2480	465	6	.	.	PUNCT
eurjchem-2480	466	1	[	[	X
eurjchem-2480	466	2	30	30	NUM
eurjchem-2480	466	3	]	]	SYM
eurjchem-2480	466	4	.	.	PUNCT
eurjchem-2480	466	5	faltings	falting	NOUN
eurjchem-2480	466	6	,	,	PUNCT
eurjchem-2480	466	7	g.	g.	PROPN
eurjchem-2480	466	8	endlichkeitssätze	endlichkeitssätze	PROPN
eurjchem-2480	466	9	für	für	PROPN
eurjchem-2480	466	10	abelsche	abelsche	PROPN
eurjchem-2480	466	11	varietäten	varietäten	PROPN
eurjchem-2480	466	12	über	über	PROPN
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eurjchem-2480	466	14	.	.	PUNCT
eurjchem-2480	467	1	inventiones	inventione	NOUN
eurjchem-2480	467	2	mathematicae	mathematicae	PROPN
eurjchem-2480	467	3	1983	1983	NUM
eurjchem-2480	467	4	,	,	PUNCT
eurjchem-2480	467	5	73	73	NUM
eurjchem-2480	467	6	,	,	PUNCT
eurjchem-2480	467	7	349–366	349–366	NUM
eurjchem-2480	467	8	.	.	PUNCT
eurjchem-2480	468	1	[	[	X
eurjchem-2480	468	2	31	31	NUM
eurjchem-2480	468	3	]	]	PUNCT
eurjchem-2480	468	4	.	.	PUNCT
eurjchem-2480	469	1	weizsacker	weizsacker	PROPN
eurjchem-2480	469	2	,	,	PUNCT
eurjchem-2480	469	3	c.	c.	PROPN
eurjchem-2480	469	4	f.	f.	PROPN
eurjchem-2480	469	5	v.	v.	PROPN
eurjchem-2480	469	6	zur	zur	PROPN
eurjchem-2480	469	7	theorie	theorie	PROPN
eurjchem-2480	469	8	der	der	PROPN
eurjchem-2480	469	9	kernmassen	kernmassen	PROPN
eurjchem-2480	469	10	.	.	PUNCT
eurjchem-2480	470	1	eur	eur	PROPN
eurjchem-2480	470	2	.	.	PUNCT
eurjchem-2480	471	1	phys	phy	NOUN
eurjchem-2480	471	2	.	.	PUNCT
eurjchem-2480	472	1	j.	j.	PROPN
eurjchem-2480	472	2	a	a	DET
eurjchem-2480	472	3	1935	1935	NUM
eurjchem-2480	472	4	,	,	PUNCT
eurjchem-2480	472	5	96	96	NUM
eurjchem-2480	472	6	,	,	PUNCT
eurjchem-2480	472	7	431–458	431–458	NUM
eurjchem-2480	472	8	.	.	PUNCT
eurjchem-2480	473	1	copyright	copyright	NOUN
eurjchem-2480	473	2	©	©	PROPN
eurjchem-2480	473	3	2023	2023	NUM
eurjchem-2480	473	4	by	by	ADP
eurjchem-2480	473	5	authors	author	NOUN
eurjchem-2480	473	6	.	.	PUNCT
eurjchem-2480	474	1	this	this	DET
eurjchem-2480	474	2	work	work	NOUN
eurjchem-2480	474	3	is	be	AUX
eurjchem-2480	474	4	published	publish	VERB
eurjchem-2480	474	5	and	and	CCONJ
eurjchem-2480	474	6	licensed	license	VERB
eurjchem-2480	474	7	by	by	ADP
eurjchem-2480	474	8	atlanta	atlanta	PROPN
eurjchem-2480	474	9	publishing	publishing	PROPN
eurjchem-2480	474	10	house	house	PROPN
eurjchem-2480	474	11	llc	llc	PROPN
eurjchem-2480	474	12	,	,	PUNCT
eurjchem-2480	474	13	atlanta	atlanta	PROPN
eurjchem-2480	474	14	,	,	PUNCT
eurjchem-2480	474	15	ga	ga	PROPN
eurjchem-2480	474	16	,	,	PUNCT
eurjchem-2480	474	17	usa	usa	PROPN
eurjchem-2480	474	18	.	.	PUNCT
eurjchem-2480	475	1	the	the	DET
eurjchem-2480	475	2	full	full	ADJ
eurjchem-2480	475	3	terms	term	NOUN
eurjchem-2480	475	4	of	of	ADP
eurjchem-2480	475	5	this	this	DET
eurjchem-2480	475	6	license	license	NOUN
eurjchem-2480	475	7	are	be	AUX
eurjchem-2480	475	8	available	available	ADJ
eurjchem-2480	475	9	at	at	ADP
eurjchem-2480	475	10	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-2480	475	11	and	and	CCONJ
eurjchem-2480	475	12	incorporate	incorporate	VERB
eurjchem-2480	475	13	the	the	DET
eurjchem-2480	475	14	creative	creative	ADJ
eurjchem-2480	475	15	commons	common	NOUN
eurjchem-2480	475	16	attribution	attribution	NOUN
eurjchem-2480	475	17	-	-	PUNCT
eurjchem-2480	475	18	non	non	ADJ
eurjchem-2480	475	19	commercial	commercial	NOUN
eurjchem-2480	475	20	(	(	PUNCT
eurjchem-2480	475	21	cc	cc	NOUN
eurjchem-2480	475	22	by	by	ADP
eurjchem-2480	475	23	nc	nc	PROPN
eurjchem-2480	475	24	)	)	PUNCT
eurjchem-2480	475	25	(	(	PUNCT
eurjchem-2480	475	26	international	international	ADJ
eurjchem-2480	475	27	,	,	PUNCT
eurjchem-2480	475	28	v4.0	v4.0	NOUN
eurjchem-2480	475	29	)	)	PUNCT
eurjchem-2480	475	30	license	license	NOUN
eurjchem-2480	475	31	(	(	PUNCT
eurjchem-2480	475	32	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	NOUN
eurjchem-2480	475	33	)	)	PUNCT
eurjchem-2480	475	34	.	.	PUNCT
eurjchem-2480	476	1	by	by	ADP
eurjchem-2480	476	2	accessing	access	VERB
eurjchem-2480	476	3	the	the	DET
eurjchem-2480	476	4	work	work	NOUN
eurjchem-2480	476	5	,	,	PUNCT
eurjchem-2480	476	6	you	you	PRON
eurjchem-2480	476	7	hereby	hereby	ADV
eurjchem-2480	476	8	accept	accept	VERB
eurjchem-2480	476	9	the	the	DET
eurjchem-2480	476	10	terms	term	NOUN
eurjchem-2480	476	11	.	.	PUNCT
eurjchem-2480	477	1	this	this	PRON
eurjchem-2480	477	2	is	be	AUX
eurjchem-2480	477	3	an	an	DET
eurjchem-2480	477	4	open	open	ADJ
eurjchem-2480	477	5	access	access	NOUN
eurjchem-2480	477	6	article	article	NOUN
eurjchem-2480	477	7	distributed	distribute	VERB
eurjchem-2480	477	8	under	under	ADP
eurjchem-2480	477	9	the	the	DET
eurjchem-2480	477	10	terms	term	NOUN
eurjchem-2480	477	11	and	and	CCONJ
eurjchem-2480	477	12	conditions	condition	NOUN
eurjchem-2480	477	13	of	of	ADP
eurjchem-2480	477	14	the	the	DET
eurjchem-2480	477	15	cc	cc	PROPN
eurjchem-2480	477	16	by	by	ADP
eurjchem-2480	477	17	nc	nc	PROPN
eurjchem-2480	477	18	license	license	PROPN
eurjchem-2480	477	19	,	,	PUNCT
eurjchem-2480	477	20	which	which	PRON
eurjchem-2480	477	21	permits	permit	VERB
eurjchem-2480	477	22	unrestricted	unrestricted	ADJ
eurjchem-2480	477	23	non	non	ADJ
eurjchem-2480	477	24	-	-	ADJ
eurjchem-2480	477	25	commercial	commercial	ADJ
eurjchem-2480	477	26	use	use	NOUN
eurjchem-2480	477	27	,	,	PUNCT
eurjchem-2480	477	28	distribution	distribution	NOUN
eurjchem-2480	477	29	,	,	PUNCT
eurjchem-2480	477	30	and	and	CCONJ
eurjchem-2480	477	31	reproduction	reproduction	NOUN
eurjchem-2480	477	32	in	in	ADP
eurjchem-2480	477	33	any	any	DET
eurjchem-2480	477	34	medium	medium	NOUN
eurjchem-2480	477	35	,	,	PUNCT
eurjchem-2480	477	36	provided	provide	VERB
eurjchem-2480	477	37	the	the	DET
eurjchem-2480	477	38	original	original	ADJ
eurjchem-2480	477	39	work	work	NOUN
eurjchem-2480	477	40	is	be	AUX
eurjchem-2480	477	41	properly	properly	ADV
eurjchem-2480	477	42	cited	cite	VERB
eurjchem-2480	477	43	without	without	ADP
eurjchem-2480	477	44	any	any	DET
eurjchem-2480	477	45	further	further	ADJ
eurjchem-2480	477	46	permission	permission	NOUN
eurjchem-2480	477	47	from	from	ADP
eurjchem-2480	477	48	atlanta	atlanta	PROPN
eurjchem-2480	477	49	publishing	publishing	PROPN
eurjchem-2480	477	50	house	house	PROPN
eurjchem-2480	477	51	llc	llc	PROPN
eurjchem-2480	477	52	(	(	PUNCT
eurjchem-2480	477	53	european	european	PROPN
eurjchem-2480	477	54	journal	journal	PROPN
eurjchem-2480	477	55	of	of	ADP
eurjchem-2480	477	56	chemistry	chemistry	NOUN
eurjchem-2480	477	57	)	)	PUNCT
eurjchem-2480	477	58	.	.	PUNCT
eurjchem-2480	478	1	no	no	DET
eurjchem-2480	478	2	use	use	NOUN
eurjchem-2480	478	3	,	,	PUNCT
eurjchem-2480	478	4	distribution	distribution	NOUN
eurjchem-2480	478	5	,	,	PUNCT
eurjchem-2480	478	6	or	or	CCONJ
eurjchem-2480	478	7	reproduction	reproduction	NOUN
eurjchem-2480	478	8	is	be	AUX
eurjchem-2480	478	9	permitted	permit	VERB
eurjchem-2480	478	10	which	which	PRON
eurjchem-2480	478	11	does	do	AUX
eurjchem-2480	478	12	not	not	PART
eurjchem-2480	478	13	comply	comply	VERB
eurjchem-2480	478	14	with	with	ADP
eurjchem-2480	478	15	these	these	DET
eurjchem-2480	478	16	terms	term	NOUN
eurjchem-2480	478	17	.	.	PUNCT
eurjchem-2480	479	1	permissions	permission	NOUN
eurjchem-2480	479	2	for	for	ADP
eurjchem-2480	479	3	commercial	commercial	ADJ
eurjchem-2480	479	4	use	use	NOUN
eurjchem-2480	479	5	of	of	ADP
eurjchem-2480	479	6	this	this	DET
eurjchem-2480	479	7	work	work	NOUN
eurjchem-2480	479	8	beyond	beyond	ADP
eurjchem-2480	479	9	the	the	DET
eurjchem-2480	479	10	scope	scope	NOUN
eurjchem-2480	479	11	of	of	ADP
eurjchem-2480	479	12	the	the	DET
eurjchem-2480	479	13	license	license	NOUN
eurjchem-2480	479	14	(	(	PUNCT
eurjchem-2480	479	15	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-2480	479	16	)	)	PUNCT
eurjchem-2480	479	17	are	be	AUX
eurjchem-2480	479	18	administered	administer	VERB
eurjchem-2480	479	19	by	by	ADP
eurjchem-2480	479	20	atlanta	atlanta	PROPN
eurjchem-2480	479	21	publishing	publishing	PROPN
eurjchem-2480	479	22	house	house	PROPN
eurjchem-2480	479	23	llc	llc	PROPN
eurjchem-2480	479	24	(	(	PUNCT
eurjchem-2480	479	25	european	european	PROPN
eurjchem-2480	479	26	journal	journal	PROPN
eurjchem-2480	479	27	of	of	ADP
eurjchem-2480	479	28	chemistry	chemistry	NOUN
eurjchem-2480	479	29	)	)	PUNCT
eurjchem-2480	479	30	.	.	PUNCT
eurjchem-2480	480	1	https://www.otka-palyazat.hu/	https://www.otka-palyazat.hu/	PROPN
eurjchem-2480	480	2	mailto:kristyan.sandor@ttk.mta.hu	mailto:kristyan.sandor@ttk.mta.hu	VERB
eurjchem-2480	480	3	mailto:kristyan.sandor@ttk.hu	mailto:kristyan.sandor@ttk.hu	AUX
eurjchem-2480	480	4	https://orcid.org/0000-0003-4169-2392	https://orcid.org/0000-0003-4169-2392	VERB
eurjchem-2480	480	5	https://doi.org/10.1063/5.0026476	https://doi.org/10.1063/5.0026476	PROPN
eurjchem-2480	480	6	https://doi.org/10.1063/1.5044100	https://doi.org/10.1063/1.5044100	PROPN
eurjchem-2480	480	7	https://doi.org/10.1063/1.5114496	https://doi.org/10.1063/1.5114496	PROPN
eurjchem-2480	480	8	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	PROPN
eurjchem-2480	480	9	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	PROPN
eurjchem-2480	480	10	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-2480	480	11	1	1	NUM
eurjchem-2480	480	12	.	.	PUNCT
eurjchem-2480	480	13	introduction	introduction	NOUN
eurjchem-2480	480	14	2	2	NUM
eurjchem-2480	480	15	.	.	PUNCT
eurjchem-2480	480	16	analytical	analytical	ADJ
eurjchem-2480	480	17	evaluations	evaluation	NOUN
eurjchem-2480	480	18	for	for	ADP
eurjchem-2480	480	19	values	value	NOUN
eurjchem-2480	480	20	n	n	CCONJ
eurjchem-2480	480	21	,	,	PUNCT
eurjchem-2480	480	22	m	m	VERB
eurjchem-2480	480	23	=	=	NOUN
eurjchem-2480	480	24	0	0	NUM
eurjchem-2480	480	25	,	,	PUNCT
eurjchem-2480	480	26	1	1	NUM
eurjchem-2480	480	27	,	,	PUNCT
eurjchem-2480	480	28	2	2	NUM
eurjchem-2480	480	29	3	3	NUM
eurjchem-2480	480	30	.	.	PUNCT
eurjchem-2480	480	31	numerical	numerical	ADJ
eurjchem-2480	480	32	evaluations	evaluation	NOUN
eurjchem-2480	480	33	for	for	ADP
eurjchem-2480	480	34	real	real	ADJ
eurjchem-2480	480	35	n	n	CCONJ
eurjchem-2480	480	36	,	,	PUNCT
eurjchem-2480	480	37	m	m	VERB
eurjchem-2480	480	38	values	value	NOUN
eurjchem-2480	480	39	4	4	NUM
eurjchem-2480	480	40	.	.	PUNCT
eurjchem-2480	481	1	the	the	DET
eurjchem-2480	481	2	higher	high	ADJ
eurjchem-2480	481	3	moment	moment	NOUN
eurjchem-2480	481	4	coulombic	coulombic	ADJ
eurjchem-2480	481	5	energy	energy	NOUN
eurjchem-2480	481	6	operators	operator	NOUN
eurjchem-2480	481	7	in	in	ADP
eurjchem-2480	481	8	practice	practice	NOUN
eurjchem-2480	481	9	5	5	NUM
eurjchem-2480	481	10	.	.	PUNCT
eurjchem-2480	482	1	conclusions	conclusion	NOUN
eurjchem-2480	482	2	appendix	appendix	VERB
eurjchem-2480	482	3	appendix	appendix	VERB
eurjchem-2480	482	4	1	1	NUM
eurjchem-2480	482	5	appendix	appendix	NOUN
eurjchem-2480	482	6	2	2	NUM
eurjchem-2480	482	7	appendix	appendix	NOUN
eurjchem-2480	482	8	3	3	NUM
eurjchem-2480	482	9	appendix	appendix	NOUN
eurjchem-2480	482	10	4	4	NUM
eurjchem-2480	482	11	appendix	appendix	NOUN
eurjchem-2480	482	12	5	5	NUM
eurjchem-2480	482	13	appendix	appendix	NOUN
eurjchem-2480	482	14	6	6	NUM
eurjchem-2480	482	15	abbreviations	abbreviation	NOUN
eurjchem-2480	482	16	acknowledgement	acknowledgement	NOUN
eurjchem-2480	482	17	disclosure	disclosure	NOUN
eurjchem-2480	482	18	statement	statement	NOUN
eurjchem-2480	482	19	orcid	orcid	NOUN
eurjchem-2480	482	20	and	and	CCONJ
eurjchem-2480	482	21	email	email	NOUN
eurjchem-2480	482	22	references	reference	NOUN
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eurjchem-2480	482	29	printfield13	printfield13	VERB
eurjchem-2480	482	30	:	:	PUNCT
eurjchem-2480	482	31	printfield14	printfield14	NOUN
eurjchem-2480	482	32	:	:	PUNCT
eurjchem-2480	482	33	printfield15	printfield15	NOUN
eurjchem-2480	482	34	:	:	PUNCT
eurjchem-2480	482	35	printfield16	printfield16	ADJ
eurjchem-2480	482	36	:	:	PUNCT
eurjchem-2480	482	37	printfield17	printfield17	NOUN
eurjchem-2480	482	38	:	:	PUNCT
eurjchem-2480	482	39	printfield20	printfield20	PROPN
eurjchem-2480	482	40	:	:	PUNCT
eurjchem-2480	482	41	printfield21	printfield21	ADJ
eurjchem-2480	482	42	:	:	PUNCT
eurjchem-2480	482	43	printfield22	printfield22	NOUN
eurjchem-2480	482	44	:	:	PUNCT
eurjchem-2480	482	45	printfield23	printfield23	NOUN
eurjchem-2480	482	46	:	:	PUNCT
eurjchem-2480	482	47	printfield24	printfield24	NOUN
eurjchem-2480	482	48	:	:	PUNCT
eurjchem-2480	482	49	printfield25	printfield25	NOUN
eurjchem-2480	482	50	:	:	PUNCT
eurjchem-2480	482	51	printfield26	printfield26	ADJ
eurjchem-2480	482	52	:	:	PUNCT
eurjchem-2480	482	53	printfield27	printfield27	NOUN
eurjchem-2480	482	54	:	:	PUNCT