swMATH ID: 11841
Software Authors: Cash, J.R.; Raptis, A.D.; Simos, T.E.
Description: A Fortran program for the numerical integration of the one-dimensional Schrödinger equation using exponential and Bessel fitting methods. 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. Solution method: The differential equation is integrated numerically by the method described in Comp. Phys. Commun. 44(1987)95. with the local truncation error being controlled by the method described in Comp. Phys. Commun. 36(1985)113 the numerical solution in the asymptotic region is expressed as a linear combination of spherical Bessel functions.
Homepage: http://www.cpc.cs.qub.ac.uk/summaries/ABLM_v1_0.html
Keywords: algorithm; Schr”odinger equation; Runge-Kutta like method; exponential or Bessel fitted method; asymptotic region; scattering phase shifts; Fortran program; test results
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Cited in: 1 Document

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