物理化学学报 >> 1992, Vol. 8 >> Issue (01): 45-51.doi: 10.3866/PKU.WHXB19920110

研究论文 上一篇    下一篇

dN离子在三角场中的基矢及有关矩阵元

林慰祯; 沙昆源   

  1. 加拿大温哥华U.B.C；南开大学化学系，天津 300071
  • 收稿日期:1990-09-28 修回日期:1991-02-20 发布日期:1992-02-15
  • 通讯作者: 沙昆源

The Basis Vectors of dN Ions in Trigonal Field and Matrix Elements Related

Lin Wei-Zhen; Sha Kun-Yuan   

  1. Department of Chemistry, University of British Columbia, Vancouver, British Columbia, Canada; Department of Chemistry, Nankai University, Tianjin 300071
  • Received:1990-09-28 Revised:1991-02-20 Published:1992-02-15
  • Contact: Sha Kun-Yuan

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摘要： 通过选用合适的单电子基矢, 使按群链[(O?D_3?C_3)×SU(2)]~N构成的多电子基矢, 成为dN体系D_3?C_3旋量群不可约表示的基矢或其两个一维不可约表示直和的基矢。讨论了有关矩阵元和顺磁参数的计算。

关键词: dN组态, 三角配位场, 旋量群

Abstract: By means of the basic vectors matched for group chain ((O?D_3?C_3)×SU(2))~N, the Slater functions of the direct product for single electron can be used as the basis vectors of the irreducible representations of d~N ions or the direct summa-tion representations of two one-dimensional representation. The matrix element ex-pressions related and the calculation of EPR parameters are systematically derived and the corresponding computer programs for all d~N ion in trigonal field have been compiled.

Key words: dN configurations, Trigaonal ligand field, Basic vectors of spinor