The solution of the reference hypernetted-chain approximation for fluids of hard spheres with dipoles and quadrupoles

J. S. Perkyns; P. H. Fries; G. N. Patey

doi:10.1080/00268978600100391

The solution of the reference hypernetted-chain approximation for fluids of hard spheres with dipoles and quadrupoles

J. S. Perkyns, P. H. Fries, G. N. Patey

Sealy Center for Structural Biology & MB

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

28 Scopus citations

Abstract

The reference hypernetted-chain (RHNC) theory is solved for fluids of hard spheres with dipoles and axially symmetric quadrupoles. The results are evaluated by comparing with earlier Monte Carlo calculations, and it is shown that the RHNC approximation significantly improves upon previous theories for this model.

Original language	English (US)
Pages (from-to)	529-542
Number of pages	14
Journal	Molecular Physics
Volume	57
Issue number	3
DOIs	https://doi.org/10.1080/00268978600100391
State	Published - Feb 20 1986

ASJC Scopus subject areas

Biophysics
Molecular Biology
Condensed Matter Physics
Physical and Theoretical Chemistry

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10.1080/00268978600100391

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title = "The solution of the reference hypernetted-chain approximation for fluids of hard spheres with dipoles and quadrupoles",

abstract = "The reference hypernetted-chain (RHNC) theory is solved for fluids of hard spheres with dipoles and axially symmetric quadrupoles. The results are evaluated by comparing with earlier Monte Carlo calculations, and it is shown that the RHNC approximation significantly improves upon previous theories for this model.",

author = "Perkyns, {J. S.} and Fries, {P. H.} and Patey, {G. N.}",

note = "Funding Information: We are grateful for the financial support of the Natural Sciences and Engineering Research Council of Canada.",

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AU - Perkyns, J. S.

AU - Fries, P. H.

AU - Patey, G. N.

N1 - Funding Information: We are grateful for the financial support of the Natural Sciences and Engineering Research Council of Canada.

PY - 1986/2/20

Y1 - 1986/2/20

N2 - The reference hypernetted-chain (RHNC) theory is solved for fluids of hard spheres with dipoles and axially symmetric quadrupoles. The results are evaluated by comparing with earlier Monte Carlo calculations, and it is shown that the RHNC approximation significantly improves upon previous theories for this model.

AB - The reference hypernetted-chain (RHNC) theory is solved for fluids of hard spheres with dipoles and axially symmetric quadrupoles. The results are evaluated by comparing with earlier Monte Carlo calculations, and it is shown that the RHNC approximation significantly improves upon previous theories for this model.

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The solution of the reference hypernetted-chain approximation for fluids of hard spheres with dipoles and quadrupoles

Abstract

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