Correlation energies for He isoelectronic sequence with Z=2-116 from four-component relativistic configuration interactions

Yoshihiro Watanabe, Hiroshi Tatewaki

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10 Citations (Scopus)

Abstract

The relativistic correlation energies (CEs) for the He isoelectronic sequence from 2He to 116Uuh were investigated using configuration-interaction (CI) calculations. We used a large universal-type Gaussian basis set, which gives accurate Dirac-Fock total energies for the ions under consideration. In contrast to nonrelativistic CEs, the relativistic CEs decrease monotonically with increasing nuclear charge, but the p-, d-, and f-partial CEs have a hump like the relativistic Hylleraas CI.

Original languageEnglish
Article number074322
JournalJournal of Chemical Physics
Volume123
Issue number7
DOIs
Publication statusPublished - Dec 1 2005

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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