Coupled-cluster theory in quantum chemistry

被引：2668

作者：

Bartlett, Rodney J. ^{[1
]}

Musial, Monika

机构：

[1] Univ Florida, Quantum Theory Project, Dept Chem, Gainesville, FL 32611 USA

[2] Univ Florida, Quantum Theory Project, Dept Phys, Gainesville, FL 32611 USA

[3] Silesian Univ, Inst Chem, PL-40006 Katowice, Poland

来源：

REVIEWS OF MODERN PHYSICS | 2007年 / 79卷 / 01期

关键词：

D O I：

10.1103/RevModPhys.79.291

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Today, coupled-cluster theory offers the most accurate results among the practical ab initio electronic-structure theories applicable to moderate-sized molecules. Though it was originally proposed for problems in physics, it has seen its greatest development in chemistry, enabling an extensive range of applications to molecular structure, excited states, properties, and all kinds of spectroscopy. In this review, the essential aspects of the theory are explained and illustrated with informative numerical results.

引用

页码：291 / 352

页数：62

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