GFACTOR2001: A program for relativistic atomic g-factor calculations ☆

Abstract We describe a program for the computation of Landé g factor. Approximate atomic wavefunctions are assumed to be linear combinations of configuration state functions, in turn, constructed from four-component spin-orbitals to be many particle eigenfunctions of the parity and angular momentum operators. Title of program: GFACTOR2001 Catalogue Id: ADPY_v1_0 Nature of problem Prediction of Lande g factor using a 'fully relativistic' approach. Versions of this program held in the CPC repository in Mendeley Data ADPY_v1_0; GFACTOR2001; 10.1016/S0010-4655(02)00264-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)摘要 本文介绍一款用于朗德g因子（Landé g-factor）计算的程序。我们假设近似原子波函数为组态态函数的线性组合，而组态态函数则由四分量自旋轨道构建，可作为宇称与角动量算符的多粒子本征函数。 程序名称：GFACTOR2001 目录编号：ADPY_v1_0 问题概述 采用“全相对论”方法预测朗德g因子。 Mendeley Data中CPC知识库收录的本程序版本： ADPY_v1_0; GFACTOR2001; 10.1016/S0010-4655(02)00264-3 本程序源自贝尔法斯特女王大学馆藏的CPC程序库（1969-2019年）。