Gauge field optimization of classical fluid expansions

L. ŠAMAJ, J. K. Percus

Research output: Contribution to journalArticlepeer-review

Abstract

For fluid systems with pairwise particle interactions, the traditional Mayer diagrammatic series expansion of the grand potential in fugacity is generalized by introducing a gauge degree of freedom via local vertex factors. Finite series truncations are then used to determine variationally the effective gauge field. For a test model of hard-core particles in three dimensions, the accuracy of the results for the pressure, resulting from optimization of the first few truncation orders, is comparable with that of the best fitting formula proposed ad hoc by Carnahan, N. F., and Starling, K. E., 1969, J. chem. Phys., 51, 635.

Original languageEnglish (US)
Pages (from-to)443-449
Number of pages7
JournalMolecular Physics
Volume96
Issue number3
DOIs
StatePublished - Feb 1999

ASJC Scopus subject areas

  • Biophysics
  • Molecular Biology
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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