Multireference coupled-cluster method using a single-reference formalism

Nevin Oliphant, Ludwik Adamowicz

Research output: Contribution to journalArticle

277 Scopus citations

Abstract

A multireference coupled-cluster singles and doubles method utilizing two reference determinants which differ by a two electron excitation is proposed. One of these determinants is selected as the formal reference determinant. The proposed method includes single-reference coupled-cluster equations truncated after quadruples. These equations are graphically derived using Feynman diagrams. The appropriate restrictions are then placed on the triple and quadruple amplitudes to allow only those amplitudes which correspond to single and double excitations from the second reference determinant.

Original languageEnglish (US)
Pages (from-to)1229-1235
Number of pages7
JournalThe Journal of Chemical Physics
Volume94
Issue number2
DOIs
StatePublished - Jan 1 1991

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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