Comparison of the Brillouin-Wigner coupled cluster theory with the standard coupled cluster theory. Cancellation of disconnected terms in the Brillouin-Wigner coupled cluster theory

被引：34

作者：

Masik, J

Hubac, I

机构：

[1] Department of Chemical Physics, Faculty of Mathematics and Physics, Comenius University

来源：

COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS | 1997年 / 62卷 / 06期

关键词：

Brillouin-Wigner perturbation theory; coupled clusters; size consistency; linked cluster theorem;

D O I：

10.1135/cccc19970829

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

In our article (Hubac I., Neogrady P.: Phys. Rev. A 50, 4558 (1994)) we have developed size-extensive Brillouin-Wigner coupled cluster (BWCC) theory. We have shown that the BWCC theory is fully equivalent to the standard coupled cluster theory. However, the BWCC theory does not obey the so-called linked cluster theorem. In this article we discuss the cancellation of disconnected terms in the BWCC theory.

引用

页码：829 / 842

页数：14

共 26 条

[1] ORTHOGONALLY-SPIN-ADAPTED COUPLED-CLUSTER THEORY FOR CLOSED-SHELL SYSTEMS INCLUDING TRI-EXCITED CLUSTERS [J].