A program for performing angular integrations for transition operators

Abstract The MCHF_MLTPOL program performs the angular integrations necessary for expressing the matrix elements of transition operators, E1, E2, …, or M1, M2, …, as linear combinations of radial integrals. All matrix elements for transitions between two lists of configuration states will be evaluated. A limited amount of non-orthogonality is allowed between orbitals of the initial and final state. Title of program: MCHF_MLTPOL Catalogue Id: ACBA_v1_0 Nature of problem This program is part of the MCHF atomic structure package [1] for bound state systems and performs the angular integrations for electric E1, E2, ..., Elambda and/or magnetic M1, M2,..., Mlambda transition operators. Versions of this program held in the CPC repository in Mendeley Data ACBA_v1_0; MCHF_MLTPOL; 10.1016/0010-4655(91)90140-G This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)摘要 MCHF_MLTPOL程序可执行必要的角积分（angular integrations）运算，用以将电多极（E1、E2、…）或磁多极（M1、M2、…）跃迁算符（transition operators）的矩阵元（matrix elements）表示为径向积分（radial integrals）的线性组合。程序可计算两组组态态（configuration states）间跃迁的全部矩阵元，且允许初态与末态的原子轨道（orbitals）之间存在有限程度的非正交性（non-orthogonality）。 程序名称：MCHF_MLTPOL 目录编号：ACBA_v1_0 问题描述 本程序为针对束缚态体系（bound state systems）的MCHF原子结构程序包[1]的组成部分，可完成电多极（E1、E2、…、Eλ）及/或磁多极（M1、M2、…、Mλ）跃迁算符对应的角积分运算。 该程序在Mendeley数据平台的CPC知识库中的版本信息： ACBA_v1_0; MCHF_MLTPOL; 10.1016/0010-4655(91)90140-G 本程序源自贝尔法斯特女王大学托管的CPC程序库（1969-2018年）。