The coupled‐cluster method in high sectors of the Fock space

S. R. Hughes, Uzi Kaldor*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

The coupled‐cluster method is applied to high sectors of the Fock space (up to five electrons outside a closed shell). Ionization potentials and excitation energies are calculated for atomic N, O, F, P, and S and their ions. The effect of virtual triple excitations is included, exactly or at several levels of appoximation. These terms are important for accurate results in the high sectors. © 1995 John Wiley & Sons, Inc.

Original languageEnglish
Pages (from-to)127-132
Number of pages6
JournalInternational Journal of Quantum Chemistry
Volume55
Issue number2
DOIs
StatePublished - 15 Jul 1995

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