ORTHOGONALLY SPIN-ADAPTED COUPLED-CLUSTER EQUATIONS INVOLVING SINGLY AND DOUBLY EXCITED CLUSTERS - COMPARISON OF DIFFERENT PROCEDURES FOR SPIN-ADAPTATION

被引:135
作者
PIECUCH, P
PALDUS, J
机构
[1] UNIV WATERLOO,DEPT APPL MATH,WATERLOO N2L 3G1,ONTARIO,CANADA
[2] UNIV WATERLOO,DEPT CHEM,WATERLOO N2L 3G1,ONTARIO,CANADA
[3] UNIV WATERLOO,GUELPH WATERLOO CTR GRAD WORK CHEM,WATERLOO N2L 3G1,ONTARIO,CANADA
关键词
D O I
10.1002/qua.560360402
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
引用
收藏
页码:429 / 453
页数:25
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