摘要
基于置换群理论导出的生成函数,编制了确定等价组态原子光谱项的计算机程序 ATEC,可计算指定组态的全部光谱项及支项,求出每种谱项出现的次数并选取基项。对于 P^1—f^(13)的所有组态,得到了与文献值完全符合的计算结果。
On basis of generating function derived from permutation group theory,a programATEC for determining atomic spectral terms of equivalent electronic configuration hasbeen get.The program can be used to get all terms and levels of a given equivalent electron-ic configuration,the frequency of every term,and to select ground term.For all p^1-f^(13),electronic configurations,results are in good agreements with those in literature.
出处
《计算机与应用化学》
CAS
CSCD
1989年第1期60-63,共4页
Computers and Applied Chemistry
关键词
置换群理论
等价组态
原子光谱相
Permutation group theory
Atomic spedral term
Equivalent electronic configuration
