BESSEL AND NEUMANN-FITTED METHODS FOR THE NUMERICAL-SOLUTION OF THE RADIAL SCHRODINGER-EQUATION

Citation
Te. Simos et Ps. Williams, BESSEL AND NEUMANN-FITTED METHODS FOR THE NUMERICAL-SOLUTION OF THE RADIAL SCHRODINGER-EQUATION, Computers & chemistry, 21(3), 1997, pp. 175-179
Citations number
16
Categorie Soggetti
Computer Application, Chemistry & Engineering",Chemistry,"Computer Science Interdisciplinary Applications
Journal title
ISSN journal
00978485
Volume
21
Issue
3
Year of publication
1997
Pages
175 - 179
Database
ISI
SICI code
0097-8485(1997)21:3<175:BANMFT>2.0.ZU;2-L
Abstract
Two two-step methods for the numerical solution of some problems relat ed to the Schrodinger equation are developed in this paper. One is of the Numerov type and of algebraic order 4 and the other is of the Rung e-Kutta type and of algebraic order 5. Each of these have free paramet ers that are defined such that the methods are fitted to spherical Bes sel and Neumann functions. From these methods a variable-step techniqu e is devised. This variable-step technique is applied to the phase-shi ft and resonance problems of the radial Schrodinger equation. Results indicate that the new approach is more efficient than several other we ll-known methods. (C) 1997 Elsevier Science Ltd.