Computation of high-order virial coefficients in high-dimensional hard-sphere fluids by Mayer sampling

Cheng Zhang, Bernard Pettitt

Research output: Contribution to journalArticle

18 Citations (Scopus)

Abstract

The Mayer sampling method was used to compute the virial coefficients of high-dimensional hard-sphere fluids. The first 64 virial coefficients for dimensions 12 < D 100 were obtained to high precision, and several lower dimensional virial coefficients were computed. The radii of convergence of the virial series in 13, 15, 17 and 19 dimensions agreed well with the analytical results from the Percus-Yevick closure.

Original languageEnglish (US)
Pages (from-to)1427-1447
Number of pages21
JournalMolecular Physics
Volume112
Issue number9-10
DOIs
StatePublished - May 19 2014

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virial coefficients
sampling
Sampling
Fluids
fluids
closures
radii

Keywords

  • Equation of state
  • Liquid state

ASJC Scopus subject areas

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

Cite this

Computation of high-order virial coefficients in high-dimensional hard-sphere fluids by Mayer sampling. / Zhang, Cheng; Pettitt, Bernard.

In: Molecular Physics, Vol. 112, No. 9-10, 19.05.2014, p. 1427-1447.

Research output: Contribution to journalArticle

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