摘要
本文报道了用FORTRAN77语言设计配位场微扰能级的计算机程序.程序适用于多d电子组态的立方、四方配位场情况,程序灵活可用于多种配位数,计算实例与文献吻合.
A program of perturbatjonal energy leves of Ugand field is reported in the paper. The Program is Suited to many-d electron Configuratron of transition metal sys tem in the Cubic and tetragoal symmetry field. It has many advantages: nimblenss, easy to use and developmet. Concordant results are obtained by the calculating example of Vitamin B12 and reference.
关键词
配位场
微扰能级
程序设计
计算机
peturbatonal Energy Levels of Ligand Field, many-d electron c onfiguration, program Design
