Theoretical prediction of atomic volume for liquid metals based on the hard sphere model combined with NFE theory

A. Mizuno, Tadahiko Masaki, T. Itami

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2 Citations (Scopus)

Abstract

The volume of liquid metals was theoretically calculated based on the hard sphere model immersed in the uniform background potential of electron gas. The electron-ion interaction was approximated by a simple empty core model pseudopotential. The effect of entropy was taken into account for the evaluation of the volume of liquids. The calculated atomic volume is in good agreement with the experimental volume for liquid metals investigated even for liquid group 14 elements.

Original languageEnglish
Pages (from-to)337-342
Number of pages6
JournalChemical Physics Letters
Volume363
Issue number3-4
DOIs
Publication statusPublished - 2002 Sep 9
Externally publishedYes

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ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics

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