配合物分子结构研究中的超对称方法——Clifford代数酉群方法(CAUGA)

THE SUPER SYMMETRY APPROACH IN THE MOLECULESTRUCTURE RESEARCH OF COMPLEX

随着分子概念的发展 ,原子、分子的量子化学理论方法也在发展 .Clifford代数酉群方法 (CAUGA)是在 UGA基础上将 U(n)群嵌入一个更大的动力学群 U(2 n) ,在超对称性空间取得 CI组态有意义的短缩 ,简化理论计算 .本文在介绍粒子数不守恒的壳层超群结构和由此发展起来的超对称方法——CAUGA的同时 ,给出 U(2 n)群不可约表示 (IR)的约化 ,生成元的转换和CAUGA配场矩阵元计算规则 .

In this paper we introduce the structures of super group for particle-Number-inconserve shell model and the Clifford algebra Unitary Group Approach (CAUGA) owing to its development. At the same time the reductions of irreducible representations (IR) for U(2 n) and the calculation rules of ligand fields matrice elements for CAUGA are given. Classified symmetry Calculationof U(2 n) group chain are carried out by using the plethysm of S-fuations.