Intermediate Hamiltonian Fock-space coupled cluster method in the one-hole one-particle sector: Excitation energies of xenon and radon

Arie Landau, Ephraim Eliav, Yasuyuki Ishikawa, Uzi Kaldor

Research output: Contribution to journalArticlepeer-review

Abstract

The intermediate Hamiltonian Fock-space coupled-cluster method was applied in the one-hole one-particle sector of the Fock space. Convergence was achieved by IHFSCC with relatively large P spaces, overcoming even the unsuitable description of the virtual orbitals generated by the DFB scheme. The MVO approach was applied to get virtual orbitals more suitable for calculation of excited states, yielding significant improvement of calculated excitation energies.

Original languageEnglish
Pages (from-to)6862-6865
Number of pages4
JournalJournal of Chemical Physics
Volume115
Issue number15
DOIs
StatePublished - 15 Oct 2001

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