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

Cheng Zhang; B. Montgomery Pettitt

doi:10.1080/00268976.2014.904945

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

Cheng Zhang, B. Montgomery Pettitt

Biochemistry & Molecular Biology

Research output: Contribution to journal › Article › peer-review

23 Scopus citations

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 language	English (US)
Pages (from-to)	1427-1447
Number of pages	21
Journal	Molecular Physics
Volume	112
Issue number	9-10
DOIs	https://doi.org/10.1080/00268976.2014.904945
State	Published - May 19 2014

Keywords

Equation of state
Liquid state

ASJC Scopus subject areas

Biophysics
Molecular Biology
Condensed Matter Physics
Physical and Theoretical Chemistry

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10.1080/00268976.2014.904945

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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.",

keywords = "Equation of state, Liquid state",

author = "Cheng Zhang and Pettitt, {B. Montgomery}",

note = "Funding Information: The authors gratefully acknowledge the financial support of the National Science Foundation [grant number CHE-1152876]; the Robert A. Welch Foundation [grant number H-0037].",

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AU - Zhang, Cheng

AU - Pettitt, B. Montgomery

N1 - Funding Information: The authors gratefully acknowledge the financial support of the National Science Foundation [grant number CHE-1152876]; the Robert A. Welch Foundation [grant number H-0037].

PY - 2014/5/19

Y1 - 2014/5/19

N2 - 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.

AB - 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.

KW - Equation of state

KW - Liquid state

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

Abstract

Keywords

ASJC Scopus subject areas

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