Coupled-cluster theory in quantum chemistry
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- 22 February 2007
- journal article
- research article
- Published by American Physical Society (APS) in Reviews of Modern Physics
- Vol. 79 (1) , 291-352
- https://doi.org/10.1103/revmodphys.79.291
Abstract
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.Keywords
This publication has 266 references indexed in Scilit:
- Origins of coupled cluster technique for atoms and moleculesTheoretical Chemistry Accounts, 1991
- Multireference coupled cluster theory in Fock spaceTheoretical Chemistry Accounts, 1991
- Independent-cluster methods as mappings of quantum theory into classical mechanicsTheoretical Chemistry Accounts, 1991
- An overview of coupled cluster theory and its applications in physicsTheoretical Chemistry Accounts, 1991
- Origins of the Coupled Cluster MethodTheoretical Chemistry Accounts, 1991
- Recursive intermediate factorization and complete computational linearization of the coupled-cluster single, double, triple, and quadruple excitation equationsTheoretical Chemistry Accounts, 1991
- A Hilbert space multi-reference coupled-cluster study of the H4 model systemTheoretical Chemistry Accounts, 1991
- Coupled clusters and the electron gas at metallic densitiesPhysica B+C, 1981
- Bound states of a many-particle systemNuclear Physics, 1958
- Neue Berechnung der Energie des Heliums im Grundzustande, sowie des tiefsten Terms von Ortho-HeliumThe European Physical Journal A, 1929