Effect of removing the no-virtual-pair approximation on the correlation energy of the He isoelectronic sequence

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Abstract

The correlation energies (CEs) for the He-like ions are studied with the virtual-pair approximation (VPA) and with the no-virtual-pair approximation (NVPA). In contrast to the nonrelativistic CEs, the CEs calculated with relativity fell sharply as the nuclear charge Z increased, although the CE calculated with the NVPA was considerably lower than with the VPA for the heavier atoms. It is shown that CE calculated with a Hylleraas-type function implicitly includes the effects of the excitations into negative-energy states, which corresponds to the VPA. The present results verify that the strong dependence on Z of the CE of He-like ions is an essential effect of the relativity.

Original languageEnglish
Article number174105
JournalJournal of Chemical Physics
Volume126
Issue number17
DOIs
Publication statusPublished - May 14 2007

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All Science Journal Classification (ASJC) codes

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

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