The ground state correlation energy of the random phase approximation from a ring coupled cluster doubles approach

被引：260

作者：

Scuseria, Gustavo E. ^{[1
]}

Henderson, Thomas M. ^{[1
]}

Sorensen, Danny C. ^{[2
]}

机构：

[1] Rice Univ, Dept Chem, Houston, TX 77005 USA

[2] Rice Univ, Dept Computat & Appl Math, Houston, TX 77005 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 2008年 / 129卷 / 23期

基金：

美国国家科学基金会;

关键词：

coupled cluster calculations; ground states; RPA calculations;

D O I：

10.1063/1.3043729

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：

We present an analytic proof demonstrating the equivalence between the random phase approximation (RPA) to the ground state correlation energy and a ring-diagram simplification of the coupled cluster doubles (CCD) equations. In the CCD framework, the RPA equations can be solved in O(N-4) computational effort, where N is proportional to the number of basis functions.

引用

页数：4

共 25 条

[21] IS COUPLED CLUSTER SINGLES AND DOUBLES (CCSD) MORE COMPUTATIONALLY INTENSIVE THAN QUADRATIC CONFIGURATION-INTERACTION (QCISD) [J].