UTILIZATION OF ABELIAN POINT GROUP SYMMETRY IN THE GRAPHICAL UNITARY GROUP-APPROACH TO THE CALCULATION OF CORRELATED ELECTRONIC WAVEFUNCTIONS

被引：44

作者：

SHAVITT, I ^{[1
]}

机构：

[1] OHIO STATE UNIV, DEPT CHEM, COLUMBUS, OH 43210 USA

来源：

CHEMICAL PHYSICS LETTERS | 1979年 / 63卷 / 03期

基金：

美国国家航空航天局;

关键词：

D O I：

10.1016/0009-2614(79)80679-X

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A procedure is described for the utilization of abelian point group symmetry in the graphical unitary group approach (GUGA) to calculations of correlated electronic wavefunctions. The procedure is based on a recursively computed set of symmetry dependent counting indices, and results in the separate numbering, without gaps, of the Gelfand states (configuration functions) belonging to each symmetry species. © 1979.

引用

页码：421 / 427

页数：7

共 24 条

[1]

BROOKS B, UNPUBLISHED

[2] COMPUTATION OF REPRESENTATION MATRICES OF GENERATORS OF UNITARY GROUP [J].