Spherical reference systems for nonspherical hard interactions

G. O. Williams, J. L. Lebowitz, J. K. Percus

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Abstract

We investigate the applicability of the median and Barker-Henderson prescriptions for obtaining spherical reference systems for three models: hard linear triatomics, hard heteronuclear dumbbells, and two-component mixtures of hard dumbbells. We propose an empirical method for determining the median potential for systems lacking a high degree of symmetry. For mixtures of hard molecules, we find that both the median and Barker-Henderson prescriptions give rise to approximately additive hard-sphere reference potentials.

Original languageEnglish (US)
Pages (from-to)6488-6491
Number of pages4
JournalJournal of physical chemistry
Volume88
Issue number26
DOIs
StatePublished - Jan 1 1984

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ASJC Scopus subject areas

  • Engineering(all)
  • Physical and Theoretical Chemistry

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