SSM: a set of subprograms for calculating eigenvalues for a diatomic molecule using a simplified shooting method

Published: 1 January 1993| Version 1 | DOI: 10.17632/j3ngm3z7vk.1
Ali El-Hajj, Hafez Kobeissi, Mahmoud Korek


Abstract This paper describes a set of subprograms to calculate accurate eigenvalues of the radial Schrödinger equation using a recent simplified shooting method. A total of nine subprograms were written to deal with three different potentials (Morse, Lennard-Jones and RKR) using one of three difference equations (Numerov, Cash and Raptis and Integral Superposition). Examples of using these subprograms are also given. Title of program: SSM Catalogue Id: ACJS_v1_0 Nature of problem SSM calculates eigenvalues for the radial Schrodinger equation using the recent simplified shooting method. Versions of this program held in the CPC repository in Mendeley Data ACJS_v1_0; SSM; 10.1016/0010-4655(93)90099-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)



Physical Chemistry, Molecular Physics, Computational Physics, Computational Method