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。
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 asthe 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 andthe corresponding computer programs for all d^N ion in trigonal field have beencompiled.
出处
《物理化学学报》
SCIE
CAS
CSCD
北大核心
1992年第1期45-51,共7页
Acta Physico-Chimica Sinica
基金
国家自然科学基金
关键词
d^N组态
三角配位场
旋量群
d^N configurations
Trigonal ligand field
Basic vectors of spinor
