Mixed-sector intermediate Hamiltonian Fock-space coupled cluster approach

Arie Landau, Ephraim Eliav, Yasuyuki Ishikawa, Uzi Kaldor

Research output: Contribution to journalArticlepeer-review

Abstract

A new formulation of the intermediate Hamiltonian Fick-space coupled-cluster scheme was derived including determinants from different sectors of the Fock-space. Th method was applied to systems in the one-particle Fock-space sector and important determinants in the one-hole two-particle sector were included in the intermediate model. It helps to extend the scope of application of the multireference coupled cluster method and makes posssible the use of quasiclosed shells as reference states. It also allows mixing of states from different sectors that leads to the mixed sector intermediate Hamiltonian (MSIH) coupled cluster scheme.

Original languageEnglish
Pages (from-to)6634-6639
Number of pages6
JournalJournal of Chemical Physics
Volume121
Issue number14
DOIs
StatePublished - 8 Oct 2004

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