分子内坐标D_(nh)与 C_n群投影算符的等效性

THE EQUIVALENCE OF CARACTERIZTIC SCALE PROJECT OPERATOR BETWEEN GROUP D_(nh) IN INNER COORDINATE SPACE OF MOLECULE AND GROUP C_n

本文证明了在 D_nh 对称群分子内坐标中。D_nh 群的特征标投影与 C_n 群的特征标投影算符是等效的,从而可使 D_nh 群有关的对称内坐标及对称分子轨道的计算大大简化。本方法也可推广到其他对称分析理论中去。

The equivalence of caracteriztic scale project operator between symmtry group Dnh in inner coordinate space of molecule and group Cn is proved in the paper.This can be used to simplify the calculations of inner coordinate scale connected with group Dnh and symmetry molecule orbit and extended to other symmetry analytical theori- es.