Effect of removing the no-virtual pair approximation on the correlation energy of the He isoelectronic sequence. II. Point nuclear charge model

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Abstract

The correlation energies (CEs) of the He isoelectronic sequence Z=2-116 with a point nuclear charge model were investigated with the four component relativistic configuration interaction method. We obtained CEs with and without the virtual pair approximation which are close to the values from Pestka 's Hylleraas-type configuration interaction calculation. We also found that the uniform charge and point charge models for the nucleus differ substantially for Z≥100.

Original languageEnglish
Article number124105
JournalJournal of Chemical Physics
Volume132
Issue number12
DOIs
Publication statusPublished - Apr 9 2010

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isoelectronic sequence
configuration interaction
approximation
nuclei
energy

All Science Journal Classification (ASJC) codes

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

Cite this

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abstract = "The correlation energies (CEs) of the He isoelectronic sequence Z=2-116 with a point nuclear charge model were investigated with the four component relativistic configuration interaction method. We obtained CEs with and without the virtual pair approximation which are close to the values from Pestka 's Hylleraas-type configuration interaction calculation. We also found that the uniform charge and point charge models for the nucleus differ substantially for Z≥100.",
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AB - The correlation energies (CEs) of the He isoelectronic sequence Z=2-116 with a point nuclear charge model were investigated with the four component relativistic configuration interaction method. We obtained CEs with and without the virtual pair approximation which are close to the values from Pestka 's Hylleraas-type configuration interaction calculation. We also found that the uniform charge and point charge models for the nucleus differ substantially for Z≥100.

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