An efficient code for calculation of the 6C, 9C and 12C symbols for C 3 v , T d , and O h point groups

Abstract A new code designed to calculate the 6C, 9C, and 12C symbols for C3 _v , ^(Td), and ^(Oh)point groups is presented. The program is based on an algorithm that uses the symmetry property between pair and impair representations. This algorithm allows one to speed up the C-symbols calculation and increase the efficiency of spectroscopic programs based on the irreducible tensorial formalism. Title of program: 6912C Catalogue Id: AEKZ_v1_0 Nature of problem Spectroscopy of symmetric atmospheric molecules. Versions of this program held in the CPC repository in Mendeley Data AEKZ_v1_0; 6912C; 10.1016/j.cpc.2011.11.012 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)

摘要
本文提出了一款用于计算C₃ᵥ、T_d及O_h点群（point groups）的6C、9C与12C符号的新代码。该程序基于一种利用偶表示与奇表示之间对称性性质的算法，可加速C符号的计算，并提升基于不可约张量形式（irreducible tensorial formalism）的光谱学程序的运行效率。

程序名称：6912C
目录编号：AEKZ_v1_0
问题所属领域：对称大气分子的光谱学研究。

该程序在Mendeley数据库的CPC库中的版本信息：AEKZ_v1_0；6912C；DOI: 10.1016/j.cpc.2011.11.012

本程序源自贝尔法斯特女王大学所维护的CPC程序库（1969-2018年）。