计算晶体中过渡族离子能谱的不可约张量方法

高等学校化学学报 ›› 1984, Vol. 5 ›› Issue (3): 389.

计算晶体中过渡族离子能谱的不可约张量方法

马东平¹, 徐益荪¹, 胡志雄²

1. 四川工业学院;
2. 温州医学院

收稿日期:1982-10-21 出版日期:1984-06-24 发布日期:1984-06-24

IRREDUCIBLE TENSOR OPERATOR METHOD FOR CALCULATING ENERGY SPECTRUM OF TRANSITION- METAL IONS IN CRYSTALS

Ma Dongping¹, Xu Yisun¹, Hu Zhixiong²

1. Sichuan Institute of Technology, Pixian, Sichuan;
2. Wenzhou Medical College, Wenzhou

Received:1982-10-21 Online:1984-06-24 Published:1984-06-24

摘要/Abstract

摘要： 分析了文献〔10〕的广义Wigner-Eckart定理有关公式及Ⅴ_c使αL混杂而得的混合态波函数的特点,推导出四条推论及有关结果,使混合态矩阵元的计算简化为未混态矩阵元的计算;或使一对八面体场项间的全部非零混合态矩阵元的计算基本上简化为一个混合态矩阵元的计算.

Abstract: We have analysed the formulas of generalized Wigner-Eckart theorems in reference〔10〕 and the characteristics of the wave functions of mixed states due to mixing of aLby V_c. Four corollaries and the results associated with the corollaries are derived. The calculation of matrix elements in the mixed states,is reduced to a simple calculation of matrix elements in the unmixed states, or the calculation of all non-zero matrix elements between two octahedral field terms is reduced to a simple calculation of a matrix elements in mixed states.By using this method, these problems involved energy spectrum of dn ions in a trigonally or tetragonally distorted octahedral crystal field can be overall dealt with in detail.

TrendMD:

马东平, 徐益荪, 胡志雄. 计算晶体中过渡族离子能谱的不可约张量方法. 高等学校化学学报, 1984, 5(3): 389.

Ma Dongping, Xu Yisun, Hu Zhixiong. IRREDUCIBLE TENSOR OPERATOR METHOD FOR CALCULATING ENERGY SPECTRUM OF TRANSITION- METAL IONS IN CRYSTALS. Chem. J. Chinese Universities, 1984, 5(3): 389.