A Fortran program for the numerical integration of the one-dimensional Schrödinger equation using exponential and Bessel fitting methods

Published: 1 January 1990| Version 1 | DOI: 10.17632/hkyvsdsrpw.1
J.R. Cash, A.D. Raptis, T.E. Simos


Abstract An efficient algorithm is described for the accurate numerical integration of the one-dimensional Schrödinger equation. This algorithm uses a high-order, variable step Runge-Kutta like method in the region where the potential term dominates, and an exponential or Bessel fitted method in the asymptotic region. This approach can be used to compute scattering phase shifts in an efficient and reliable manner. A Fortran program which implements this algorithm is provided and some test results are ... Title of program: PHASE1 Catalogue Id: ABLM_v1_0 Nature of problem This program solves the single-channel Schrodinger equation for the scattering of an electron by the Lenard Jones potential for a specified energy E and angular momentum L. It also calculates the scattering phase shift. The Lenard-Jones potential is used for demonstration purposes. Any other potential can be used just as easily. Versions of this program held in the CPC repository in Mendeley Data ABLM_v1_0; PHASE1; 10.1016/0010-4655(90)90022-S This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)



Computational Physics, Computational Method