A general bridge between configuration interaction and coupled-cluster methods: A multistate solution

L. Adamowicz, R. Caballol, J. P. Malrieu, J. Meller

Research output: Contribution to journalArticle

7 Scopus citations

Abstract

Using the concept of intermediate Hamiltonians, a state-specific dressing of an arbitrary configuration interaction matrix is presented in its full generality, proceeding through a coupled-cluster development of the desired eigenvector from its dominant single determinantal components. The method is then generalized to simultaneously search for M eigenstates through a Jeziorski-Monkhorst-type expansion from the M dominant determinants.

Original languageEnglish (US)
Pages (from-to)619-626
Number of pages8
JournalChemical Physics Letters
Volume259
Issue number5-6
DOIs
StatePublished - Sep 13 1996

ASJC Scopus subject areas

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

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