A systematic formulation of the virial expansion for nonadditive interaction potentials

Hellmann, Robert; Bich, Eckard

doi:10.1063/1.3626524

A systematic formulation of the virial expansion for nonadditive interaction potentials

Publication date

2011-08-28

Document type

Research article

Author

Hellmann, Robert

Bich, Eckard

Organisational unit

Universität Rostock

DOI

10.1063/1.3626524

URI

https://openhsu.ub.hsu-hh.de/handle/10.24405/14498

Scopus ID

2-s2.0-80052392235

Pubmed ID

21895169

Series or journal

The journal of chemical physics : JCP

ISSN

1089-7690

0021-9606

Periodical volume

135

Periodical issue

8

Peer-reviewed

✅

Part of the university bibliography

Nein

Language

English

Abstract

A new formulation of the virial expansion for a classical gas is derived without the restriction to pairwise-additive interaction potentials. Explicit expressions up to the eighth virial coefficient, suitable for numerical evaluation, are given in the form of integrals over sums of cluster diagrams. Compared with previous approaches, the number of cluster diagrams increases more moderately with increasing order of the virial coefficient. Thus, the new formulation should be particularly useful for the computation of high-order virial coefficients.

Version

Not applicable (or unknown)

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