Chem. J. Chinese Universities ›› 1984, Vol. 5 ›› Issue (3): 389.

• Articles • Previous Articles     Next Articles

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

Ma Dongping1, Xu Yisun1, Hu Zhixiong2   

  1. 1. Sichuan Institute of Technology, Pixian, Sichuan;
    2. Wenzhou Medical College, Wenzhou
  • Received:1982-10-21 Online:1984-06-24 Published:1984-06-24

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 Vc. 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: