高等学校化学学报

高等学校化学学报 ›› 2000, Vol. 21 ›› Issue (6): 926.

• 论文 • 上一篇    下一篇

f3组态离子在四角场中的基矢矩阵元

周玉炳1, 沙昆源2   

  1. 1. 张掖师范专科学校计算中心, 张掖 734000;
    2. 南开大学化学系, 天津 300071
  • 收稿日期:1999-05-27 出版日期:2000-06-24 发布日期:2000-06-24
  • 通讯作者: 周玉炳(1963年出生),男,硕士,讲师,从事f组态离子配位场分裂能的理论研究.

The Basis Vectors of f3 Ions in Tetragonal Field and Matrix Elements Related

ZHOU Yu-Bing1, SHA Kun-Yuan2   

  1. 1. Computation Center, Zhangye Teachers College, Zhangye 734000, China;
    2. Department of Chemistry, Nankai University, Tianjin 300071, China
  • Received:1999-05-27 Online:2000-06-24 Published:2000-06-24

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摘要： 通过选用与群链[(O⊃D4⊃C4)×SU(2)]相匹配的单电子基矢,使其直积构成多电子fN体系的O⊃D4⊃C4旋量群的不可约表示的基矢,并讨论了有关的Coulomb矩阵元、Casimir矩阵元、旋-轨偶合矩阵元和晶体场作用矩阵元.

关键词: f3组态, 四角配位场, 旋量基矢, 不可约张量

Abstract: By means of the single electron basis vectors matched for group chain [(O⊃D4⊃C4)×SU(2)] , the Slater functions of the direct product for single electron can be used as the basis vectors of the irreducible represents of fN ions. The Coulomb, Casimir, spin-orbit coupling and crystal field interacting matrix elements in tetragonal field have been described.

Key words: fN configuration, Tetragonal field, Basis Vectors, Irreducible tensor

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