Relativistic coupled-cluster calculations for open-shell atoms

Ephraim Ilyabaev, Uzi Kaldor

Research output: Contribution to journalArticlepeer-review

Abstract

Ground- and excited-state energies are calculated by the relativistic coupled-cluster open-shell Fock-space method for Li, C, O, F, and Na and their ions. The coupled-cluster approximation including single and double excitations in a self-consistent manner, is implemented. The no-pair Dirac-Coulomb Hamiltonian is taken as the starting point. Mean-length basis sets of balanced Gaussian spinors are used to span the atomic orbitals.

Original languageEnglish
Pages (from-to)137-142
Number of pages6
JournalPhysical Review A
Volume47
Issue number1
DOIs
StatePublished - 1993

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