A general bridge between configuration interaction and coupled-cluster methods

A multistate solution

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

Research output: Contribution to journalArticle

7 Citations (Scopus)

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
StatePublished - Sep 13 1996

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Hamiltonians
Eigenvalues and eigenfunctions
configuration interaction
eigenvectors
determinants
expansion
matrices

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics

Cite this

A general bridge between configuration interaction and coupled-cluster methods : A multistate solution. / Adamowicz, Ludwik; Caballol, R.; Malrieu, J. P.; Meller, J.

In: Chemical Physics Letters, Vol. 259, No. 5-6, 13.09.1996, p. 619-626.

Research output: Contribution to journalArticle

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