APPROXIMATE ACCOUNT OF CONNECTED QUADRUPLY EXCITED CLUSTERS IN MULTIREFERENCE HILBERT-SPACE COUPLED-CLUSTER THEORY - APPLICATION TO PLANAR H-4 MODELS

被引：57

作者：

PIECUCH, P

TOBOLA, R

PALDUS, J

机构：

[1] UNIV WATERLOO, DEPT APPL MATH, WATERLOO N2L 3G1, ONTARIO, CANADA

[2] WROCLAW TECH UNIV, INST ORGAN & PHYS CHEM, PL-50370 WROCLAW, POLAND

[3] WROCLAW UNIV, INST CHEM, PL-50383 WROCLAW, POLAND

[4] UNIV WATERLOO, DEPT CHEM, WATERLOO N2L 3G1, ONTARIO, CANADA

[5] UNIV WATERLOO, GUELPH WATERLOO CTR GRAD WORK CHEM, WATERLOO N2L 3G1, ONTARIO, CANADA

来源：

CHEMICAL PHYSICS LETTERS | 1993年 / 210卷 / 1-3期

关键词：

D O I：

10.1016/0009-2614(93)89129-6

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：

An approximate account of the connected quadruply excited cluster components that is achieved by considering only those pair cluster interaction diagrams which are separable over the hole lines is examined in the context of the multi-reference Hilbert space coupled-cluster formalism. The results for two simple model systems involving two interacting, slightly stretched hydrogen molecules are most encouraging.

引用

页码：243 / 252

页数：10

共 53 条

[41] CORRELATION PROBLEMS IN ATOMIC AND MOLECULAR SYSTEMS .4. EXTENDED COUPLED-PAIR MANY-ELECTRON THEORY AND ITS APPLICATION TO BH3 MOLECULE [J].