Intermediate Hamiltonian Fock-space coupled cluster method and applications

Arie Landau*, Ephraim Eliav, Uzi Kaldor

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

An intermediate Hamiltonian Fock-space coupled cluster method is presented. This method allows the use of large and flexible P spaces without encountering intruder-state problems. The larger P spaces enhance the accuracy of calculated transition energies by factors of 3-6, and make accessible many states which could not be handled by other CC methods. Examples given include the pilot calculation on Sc+ levels, where accuracy increased by a factor of 4; element 114, where ionisation potentials show considerable increase relative to lighter group-14 atoms, due to relativistic stabilisation of the 7s and 7p1/2 orbitals; and a benchmark calculation of the electron affinities of the alkali atoms Na-E119, where results agree within 5 meV or better with known experimental values, providing a new reference value of 491±5 meV for the experimentally unknown EA of Fr.

Original languageEnglish
Pages (from-to)5335-5345
Number of pages11
JournalInternational Journal of Modern Physics B
Volume17
Issue number28 II
DOIs
StatePublished - 10 Nov 2003

Funding

FundersFunder number
U.S.–Israel Binational Research Foundation
Israel Science Foundation

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