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

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)摘要 本文介绍了一套子程序，可采用新近提出的简化打靶法（simplified shooting method）精确求解径向薛定谔方程（radial Schrödinger equation）的本征值。本次共编写9个子程序，可结合三类差分方程（纳沃法（Numerov）、Cash-Raptis法（Cash and Raptis）、积分叠加法（Integral Superposition））中的一类，针对三种不同势场（莫尔斯势（Morse）、伦纳德-琼斯势（Lennard-Jones）与RKR势（RKR））开展计算，同时还给出了这些子程序的使用示例。 程序名称：SSM 目录编号：ACJS_v1_0 问题描述 SSM采用新近提出的简化打靶法求解径向薛定谔方程的本征值。 Mendeley数据中的CPC库所收录的本程序版本 ACJS_v1_0; SSM; 10.1016/0010-4655(93)90099-X 本程序源自贝尔法斯特女王大学维护的CPC程序库（1969-2019）