8TH ORDER METHODS WITH MINIMAL PHASE-LAG FOR ACCURATE COMPUTATIONS FOR THE ELASTIC-SCATTERING PHASE-SHIFT PROBLEM

Authors
Citation
Te. Simos, 8TH ORDER METHODS WITH MINIMAL PHASE-LAG FOR ACCURATE COMPUTATIONS FOR THE ELASTIC-SCATTERING PHASE-SHIFT PROBLEM, Journal of mathematical chemistry, 21(4), 1997, pp. 359-372
Citations number
20
ISSN journal
02599791
Volume
21
Issue
4
Year of publication
1997
Pages
359 - 372
Database
ISI
SICI code
0259-9791(1997)21:4<359:8OMWMP>2.0.ZU;2-I
Abstract
Two new hybrid eighth algebraic order two-step methods with phase-lag of order twelve and fourteen are developed for computing elastic scatt ering phase shifts of the radial Schrodinger equation. Based on these new methods we obtain a new variable-step procedure for the numerical integration of the Schrodinger equation. Numerical results obtained fo r the integration of the phase shift problem for the well known case o f the Lennard-Jones potential show that these new methods are better t han other finite difference methods.