Acta Polytechnica Vol. 51 No. 4/2011 Rational Approximation to the Solutions of Two-Point Boundary Value Problems P. Amore, F. M. Fernández Abstract We propose a method for the treatment of two-point boundary value problems given by nonlinear ordinary differential equations. The approach leads to sequences of roots of Hankel determinants that converge rapidly towards the unknown parameter of the problem. We treat several problems of physical interest: the field equation determining the vortex profile in a Ginzburg-Landau effective theory, the fixed-point equation for Wilson’s exact renormalization group, a suitably modified Wegner-Houghton fixed point equation in the local potential approximation, and a Riccati equation. Weconsider twomodelswhere theapproachdoesnotapply inorder to showthe limitations of ourPadé-Hankelapproach. Keywords: nonlinear differential equations, Ginzburg-Landau, Wilson’s renormalization, Wegner-Houghton, Riccati equation, Padé-Hankel method. 1 Introduction Some time ago Fernández et al [1–3, 5, 6, 4, 7–9] devel- oped a method for the accurate calculation of eigen- functions and eigenvalues for bound states and reso- nances of the Schrödinger equation. This approach is based on the Taylor expansion of a regularized loga- rithmic derivative of the eigenfunction. The physical eigenvalue is given by a sequence of roots of Hankel determinants constructed from the coefficients of that series. One merit of this approach, called the Riccati- Padé method, is the great convergence rate in most cases and that the same equation applies to bound states and resonances. Besides, in some cases it yields upper and lower bounds to the eigenvalues [1]. The logarithmic derivative satisfies a Riccati equation, and one may wonder if the method ap- plies to other nonlinear ordinary differential equa- tions. The purpose of this paper is to investigate whether a kind of Padé-Hankel method may be use- ful for two-point boundary value problems given by nonlinear ordinary differential equations. In Section 2 we outline the method, in Section 3 we apply it to several problems of physical interest, and in Section 4 we discuss the relative merits of the approach. 2 Method It is our purpose to propose a method for the treat- ment of two-point boundary value problems. We sup- pose that the solution f (x) of a nonlinear ordinary differential equation can be expanded as f (x) = xα ∞∑ j=0 fj x βj (1) about x = 0, where α and β are real numbers, and β > 0. We also assume that we can cal- culate sufficient coefficients fj in terms of one of them that should be determined by the boundary condition at the other point; for example, at infin- ity. We show several illustrative examples in sec- tion 3. We try a rational approximation to x−αf (x) of the form [M, N ](z) = ∑M j=0 aj z j∑N j=0 bjz j . (2) where z = xβ . The Taylor expansion of the usual Padé approximant yields M + N + 1 coefficients of the series (1) [11]; but in the present case we require that the rational approximation (2) gives us one more coefficient, that is to say, M + N + 2. If M = N + d, N = 1, 2, . . ., d = 0, 1, . . ., this requirement leads to the equation [1–3, 5, 6, 4, 7–9] HdD = |fi+j+d+1|i,j=0,1,...N = 0, (3) where D = N + 1 = 2, 3, . . . is the dimension of the Hankel determinant HdD. In general, equation (3) exhibits many roots and one expects to find a sequence, for D = 2, 3, . . . and fixed d, that converges towards the required value of the unknown coefficient. From now on we call it the Hankel sequence for short. If such a convergent sequence is monotonously increasing or decreasing we assume that it yields a lower or upper bound, respectively. Such bounds have been proved rigorously for some eigenvalue prob- lems [1]. 9 Acta Polytechnica Vol. 51 No. 4/2011 3 Examples In order to test the performance of the Padé-Hankel method, in this section we consider the examples treated by Boisseau et al [10] by means of a most interesting algebraic approach. We first consider the field equation determining the vortex profile in a Ginzburg-Landau effective theory (and references therein) f ′′(r) + 1 r f ′(r) + ( 1 − n2 r2 ) f (r) − f (r)3 = 0, r > 0. (4) The solution f (r) satisfies the expansion (1) with x = r, α = n = 1, 2, . . ., and β = 2. If we substi- tute this series into the differential equation and solve for the coefficients fj , we obtain them in terms of the only unknown f0 that is determined by the boundary condition at infinity: f (r → ∞) = 1 [10] (and refer- ences therein). The coefficients fj , and therefore the Hankel determinant HdD , are polynomial functions of f0. For example, for n = 1 we have Table 1: Convergence of theHankel series for the connec- tion parameters of the global vortex for n =1 D d = 0 d = 1 2 0.595 0.578 3 0.584 0.582 9 4 0.583 24 0.583 15 5 0.583 20 0.583 183 6 0.583 192 0.583 187 7 0.583 190 0.583 189 0 8 0.583 189 7 0.583 189 3 9 0.583 189 54 0.583 189 46 10 0.583 189 52 0.583 189 48 11 0.583 189 51 0.583 189 491 12 0.583 189 498 0.583 189 494 13 0.583 189 496 4 0.583 189 495 3 14 0.583 189 496 1 0.583 189 495 6 15 0.583 189 496 0 0.583 189 495 7 16 0.583 189 495 90 0.583 189 495 83 17 0.583 189 495 88 0.583 189 495 84 18 0.583 189 495 867 0.583 189 495 854 19 0.583 189 495 864 0.583 189 495 857 20 0.583 189 495 862 0.583 189 495 859 1 21 0.583 189 495 860 9 0.583 189 495 859 8 22 0.583 189 495 860 7 0.583 189 495 860 1 f1 = − f0 8 , f2 = f0 192 + f30 24 , f3 = − f0 9216 − 5f30 576 , . . . (5) Tables 1 and 2 show two Hankel sequences with d = 0 and d = 1 that converge rapidly towards the result of the accurate shooting method [10] for n = 1 and n = 2, respectively. We appreciate that in the case n = 1 the sequences with d = 0 and d = 1 give upper and lower bounds, respectively, that tightly bracket the exact value of the unknown pa- rameter of the theory: 0.583 189 495 860 60 < f0 < 0.583 189 495 860 61. On the other hand, the appropriate Hankel se- quences are oscillatory when n ≥ 2 and their rate of convergence decreases with n. Table 3 shows the best estimates of f0 for n = 2, 3, 4. Table 2: Convergence of theHankel series for the connec- tion parameters of the global vortex for n =2 D d = 0 d = 1 3 0.156 0.151 4 0.152 8 0.154 5 0.153 10 0.153 0 6 0.153 09 0.153 11 7 0.153 098 0.153 10 8 0.153 099 7 0.153 10 9 0.153 099 1 0.153 099 10 0.153 099 14 0.153 098 9 11 0.153 099 12 0.153 099 095 12 0.153 099 17 0.153 099 091 13 0.153 099 105 0.153 099 097 14 0.153 099 102 1 0.153 099 11 15 0.153 099 102 72 0.153 099 102 16 0.153 099 102 697 0.153 099 103 17 0.153 099 102 782 0.153 099 102 92 18 0.153 099 103 124 0.153 099 102 93 19 0.153 099 102 857 0.153 099 102 89 20 0.153 099 102 864 0.153 099 102 78 21 0.153 099 102 861 36 0.153 099 102 860 22 0.153 099 102 861 42 0.153 099 102 858 Table 3: Best estimates of the connection parameters of the global vortex for n = 2,3,4 by means of Hankel se- quences with D ≤ Dmax n Dmax f0 2 21 0.153 099 102 86 3 21 0.026 183 420 7 4 26 0.003 327 173 4 10 Acta Polytechnica Vol. 51 No. 4/2011 Our second example is the fixed-point equation for Wilson’s exact renormalization group [10] (and references therein) 2f ′′(x) − 4f (x)f ′(x) − 5xf ′(x) + f (x) = 0, x > 0. (6) The solution to this equation can be expanded as in equation (1) with α = 1 and β = 2. The first coeffi- cients are f1 = f0 3 + f20 3 , f2 = 7f0 60 + f20 4 + 2f30 15 , . . . (7) For large values of x the physical solution should be- have as f (x) = ax1/5 + a2/(5x3/5) + . . . The Han- kel sequences with d = 0 and d = 1 converge towards the numerical result [10] (and references therein) from above and below, respectively. Fi- gure 1 displays the great rate of convergence of these sequences as Δ = |f0(D, d = 0) − f0(D, d = 1)|, D = 2, 3, . . ., from which we obtain the accu- rate bounds −1.228 598 202 437 021 924 38 < f0 < −1.228 598 202 437 021 924 37. 0 5 10 15 20 25 D 10 -21 10 -18 10 -15 10 -12 10 -9 10 -6 10 -3 10 0 Δ Fig. 1: Δ = |f0(D, d =0) − f0(D, d =1)| for Wilson’s renormalization The third example comes from a suitably modi- fied Wegner-Houghton’s fixed point equation in the local potential approximation [10] (and references therein) 2f ′′(x)+[1+f ′(x)][5f (x)−xf ′(x)] = 0, x > 0. (8) The solution satisfies the series (1) with α = 1 and β = 2, and the first coefficients are f1 = − f0 3 − f20 3 , f2 = f0 60 + 2f20 15 + 7f30 60 , . . . (9) On the other hand, the acceptable solution should behave as f (x) = ax5 − 4/(3x) + . . . when x � 1. Table 4 shows Hankel sequences with d = 0 and d = 1 that clearly converge towards the numerical value of f0 [10] (and references therein). Table 4: Convergence of the Hankel sequences for the Wegner-Houghton connection parameter D d = 0 d = 1 3 −0.301 365 209 2 −0.419 012 931 2 4 −0.540 511 282 4 −0.469 645 717 0 5 −0.455 201 249 3 −0.460 479 692 6 6 −0.462 452 597 9 −0.461 693 582 1 7 −0.461 375 992 6 −0.461 509 171 7 8 −0.461 557 112 9 −0.461 537 339 3 9 −0.461 530 376 7 −0.461 533 153 5 10 −0.461 534 297 5 −0.461 533 816 5 11 −0.461 533 614 7 −0.461 533 704 3 12 −0.461 533 735 7 −0.461 533 722 7 13 −0.461 533 717 3 −0.461 533 719 6 14 −0.461 533 720 7 −0.461 533 720 2 15 −0.461 533 720 0 −0.461 533 720 1 16 −0.461 533 720 13 −0.461 533 720 119 17 −0.461 533 720 113 −0.461 533 720 115 7 18 −0.461 533 720 116 8 −0.461 533 720 116 3 19 −0.461 533 720 116 1 −0.461 533 720 116 2 20 −0.461 533 720 116 2 We have also applied our approach to the ordi- nary differential equation for the spherically symmet- ric skyrmion field [10] (and references therein) but we could not obtain convergent Hankel sequences. We do not yet know the reason for the failure of the method in this case. The present approach has earlier proved suitable for the treatment of the Riccati equation derived from the Schrödinger equation [1–3, 5, 6, 4, 7–9]. Consider, for example, the following Riccati equation f ′(x) − f (x)2 + x2 = 0, x > 0. (10) The solution can be expanded as in equation (1) with α = β = 1; the first coefficients are f1 = f 2 0 , f2 = f 3 0 , f3 = − 1 3 + f40 , . . . There is a critical value f0c of f (0) = f0 such that f (x) ∼ −x at large x if f (0) < f0c, f (x) develops a singular point if f (0) > f0c, and f (x) ∼ x at large x if f (0) = f0c. The present Padé-Hankel method yields the value of f0c with remarkable accuracy, as shown in Table 5. The rate of convergence of the Hankel se- quence for this problem is considerably greater than for the preceding ones. If we substitute f (x) = −y′(x)/y(x) into equation (10), then the function y(x) satisfies the Schrödinger equation for a harmonic oscillator with zero energy 11 Acta Polytechnica Vol. 51 No. 4/2011 Table 5: Convergence of theHankel sequenceswith d =0 for the Riccati equation D f0 4 0.676 2 5 0.675 970 6 0.675 978 5 7 0.675 978 23 8 0.675 978 240 3 9 0.675 978 240 059 10 0.675 978 240 067 5 11 0.675 978 240 067 277 12 0.675 978 240 067 285 0 13 0.675 978 240 067 284 722 14 0.675 978 240 067 284 729 15 0.675 978 240 067 284 728 99 16 0.675 978 240 067 284 729 00 17 0.675 978 240 067 284 729 00 Table 6: Convergence of theHankel sequenceswith d =4 for the Thomas-Fermi equation D 2f2 10 −1.588 070 9 11 −1.588 070 6 12 −1.588 071 03 13 −1.588 071 024 14 −1.588 071 022 7 15 −1.588 071 022 64 16 −1.588 071 022 609 17 −1.588 071 022 609 18 −1.588 071 022 611 6 19 −1.588 071 022 611 5 20 −1.588 071 022 611 39 21 −1.588 071 022 611 38 22 −1.588 071 022 611 37 23 −1.588 071 022 611 37 24 −1.588 071 022 611 375 6 25 −1.588 071 022 611 375 37 26 −1.588 071 022 611 375 32 27 −1.588 071 022 611 375 315 4 28 −1.588 071 022 611 375 315 2 29 −1.588 071 022 611 375 315 4 30 −1.588 071 022 611 375 313 7 on the half line: y′′(x)−x2y(x) = 0, and the problem solved above is equivalent to finding the logarithmic derivative at origin y′(0)/y(0) so that y(x) behaves as exp(−x2/2) at infinity. Obviously, any approach for linear differential equations is suitable for this prob- lem. Finally, we consider two examples discussed by Bender et al [12]; the first of them is the instanton equation f ′′(x) + f (x) − f (x)3 = 0 (11) with the boundary conditions f (0) = 0, f (∞) = 1. The solution to this equation is f (x) = tanh ( x/ √ 2 ) . The expansion of f (x) is a particular case of equation (1) with α = 1 and β = 2; its first coefficients being f1 = − f0 6 , f0 ( 6f20 + 1 ) 120 , f3 = − f0 ( 66f20 + 1 ) 5 040 , . . . , (12) where f0 = f ′(0) is the unknown. The Hankel series with d = 0 and d = 1 converge rapidly giving upper and lower bounds, respectively, to the exact result f0 = 1/ √ 2. The second example is the well known Blasius equation [12] 2y′′′(x) + y(x)y′′(x) = 0 (13) with the boundary conditions y(0) = y′(0) = 0, y′(∞) = 1. The expansion of the solution in a Taylor series about x = 0 is a particular case of equation (1) with α = 2 and β = 3; its first coefficients are f1 = − f20 60 , f2 = 11f30 20160 , . . . (14) Since, in general, fj ∝ f j+10 , then the only root of the Hankel determinants is f0 = 0, which leads to the trivial solution y(x) ≡ 0. We thus see another case where the Padé-Hankel method does not apply. 4 Conclusions We have presented a simple method for the treat- ment of two-point boundary value problems. If there is a suitable series for the solution about one point, we construct a Hankel matrix with the expansion co- efficients and obtain the physical value of the un- determined coefficient from the roots of a sequence of determinants. The value of this coefficient given by a convergent Hankel sequence is exactly the one that produces the correct asymptotic behaviour at the other point. We cannot prove this assumption rigorously, but it seems that if there is a convergent sequence, it yields the correct answer. Moreover, in some cases the Hankel sequences produce upper and lower bounds bracketing the exact result tightly. 12 Acta Polytechnica Vol. 51 No. 4/2011 The present Padé-Hankel approach is not as gen- eral as the one proposed by Boisseau et al [10], as we have already seen that the former does not appar- ently apply to the skyrmion problem or to the Blasius equation [12]. However, our procedure is much sim- pler and more straightforward and may be a suitable alternative for treating problems of this kind. Be- sides, if our approach converges, it yields remarkably accurate results, as shown in the examples above. References [1] Fernández, F. M., Ma, Q., Tipping, R. H.: Tight upper and lower bounds for energy eigenvalues of the Schrödinger equation. Phys. Rev. A, 39 (4), 1989, p. 1 605–1 609. [2] Fernández, F. M.: Strong Coupling Expan- sion for Anharmonic Oscillators and Perturbed Coulomb Potentials. Phys. Lett. A, 166 1992, p. 173–176. [3] Fernández, F. M., Guardiola, R.: Accurate Eigenvalues and Eigenfunctions for Quantum- Mechanical Anharmonic Oscillators. J. Phys. A, 26 1993, p. 7 169–7 180. [4] Fernández, F. M.: Resonances for a Perturbed Coulomb Potential. Phys. Lett. A, 203 1995, p. 275–278. [5] Fernández, F. M.: Direct Calculation of Accu- rate Siegert Eigenvalues. J. Phys. A, 28 1995, p. 4 043–4 051. [6] Fernández, F. M.: Alternative Treatment of Sep- arable Quantum-mechanical Models: the Hydro- gen Molecular Ion. J. Chem. Phys., 103 (15), 1995, p. 6 581–6 585. [7] Fernández, F. M.: Quantization Condition for Bound and Quasibound States. J. Phys. A, 29 1996, p. 3 167–3 177. [8] Fernández, F. M.: Direct Calculation of Stark Resonances in Hydrogen. Phys. Rev. A, 54 (2), 1996, p. 1 206–1 209. [9] Fernández, F. M.: Tunnel Resonances for One- Dimensional Barriers. Chem. Phys. Lett, 281 1997, p. 337–342. [10] Boisseau, B., Forgács, P., Giacomini, H.: An analytical approximation scheme to two-point boundary value problems of ordinary differential equations. J. Phys. A, 40 2007, p. F215–F221. [11] Bender, C. M., Orszag, S. A.: Advanced math- ematical methods for scientists and engineers, New York, McGraw-Hill, 1978. [12] Bender, C. M., Pelster, A., Weissbach, F.: Boundary-layer theory, strong-coupling series, and large-order behavior. J. Math. Phys., 43 (8), 2002, p. 4 202–4 220. Paolo Amore E-mail: paolo@cgic.ucol.mx Facultad de Ciencias Universidad de Colima Bernal Dı́az del Castillo 340, Colima, Colima, Mexico Francisco M. Fernández E-mail: fernande@quimica.unlp.edu.ar INIFTA (Conicet,UNLP), Diag. 113 y 64 S/N Sucursal 4, Casilla de Correo 16, 1900 La Plata, Ar- gentina 13