Rovibrational cross sections from reactance matrices calculated in adiabatic nuclei approximation

Title of program: VIBAD Catalogue Id: ACWI_v1_0 Nature of problem Body frame reactance matrices obtained from elastic scattering calculations at fixed internuclear separations are transformed into laboratory frame matrices to compute differential and integral cross sections for simultaneous rotational and vibrational excitation of a molecule. Versions of this program held in the CPC repository in Mendeley Data ACWI_v1_0; VIBAD; 10.1016/0010-4655(75)90041-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)程序名称：VIBAD 目录编号：ACWI_v1_0 问题本质：将固定核间距下通过弹性散射计算得到的本体坐标系（body frame）电抗矩阵转换为实验室坐标系（laboratory frame）矩阵，以计算分子同时发生转动与振动激发的微分散射截面与积分散射截面。 Mendeley Data中的CPC程序库所收录的本程序版本：ACWI_v1_0; VIBAD; 10.1016/0010-4655(75)90041-7 本程序导入自贝尔法斯特女王大学所维护的CPC程序库（1969-2019）。