Title: A fifth-order perturbation comparison of electron correlation theories
Abstract: Abstract Electron correlation theories such as configuration interaction (CI), coupled-cluster theory (CC), and quadratic configuration interaction (QCI) are assessed by means of a Moller-Plesset perturbation expansion of the correlation energy up to fifth order. The computational efficiencies and relative merits of the different techniques are outlined. A new augmented version of coupled-cluster theory, denoted as CCSD(T), is proposed to remedy some of the deficiencies of previous augmented coupled-cluster models.
Publication Year: 1989
Publication Date: 1989-05-01
Language: en
Type: article
Indexed In: ['crossref']
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Cited By Count: 7788
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