Fock-space coupled-cluster method: The (1,2) sector

S. R. Hughes, Uzi Kaldor

Research output: Contribution to journalArticlepeer-review

Abstract

The coupled-cluster method with single and double excitations is applied to the (1,2) sector of the Fock space, the sector of one valence hole and two valence particles added to a closed shell. The coupled-cluster equations in the (1,2) sector are linear and are solved directly. The systems investigated are the two isoelectronic sequences B, C+, N2+ and Al, Si+, P2+. The primary interest is in the excitation spectra of these systems. In addition, due to the hierarchical nature of the Fock-space approach, other results are obtained gratuitously in the lower sectors. Excellent results are obtained, with most calculated energies differing from experimental values by less than 0.1 eV.

Original languageEnglish
Pages (from-to)4705-4712
Number of pages8
JournalPhysical Review A
Volume47
Issue number6
DOIs
StatePublished - 1993

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