Calculation of wave-functions and collision matrix elements for one-electron diatomic molecules

Title of program: GRAVE Catalogue Id: ACXX_v1_0 Nature of problem Determination of the wave-functions for one-electron diatomic molecules by semi-analytic expansions. Results may be used by the program MEDOC to calculate collision matrix elements. Versions of this program held in the CPC repository in Mendeley Data acxx_v1_0; GRAVE; 10.1016/0010-4655(78)90055-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)程序名称：GRAVE 目录编号：ACXX_v1_0 问题描述：采用半解析展开法求解单电子双原子分子的波函数，所得结果可被MEDOC程序调用以计算碰撞矩阵元。 Mendeley数据集中的CPC库所收录的该程序版本如下： acxx_v1_0；GRAVE；10.1016/0010-4655(78)90055-3 本程序源自贝尔法斯特女王大学所维护的CPC程序库（1969-2019）