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Fundamental measure theory for hard-sphere mixtures revisited: the White Bear version

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Roth, R, Evans, R, Lang, A, Kahl, G·2002·Journal of Physics: Condensed Matter

Abstract

We develop a density functional for hard-sphere mixtures which keeps the structure of Rosenfeld's fundamental measure theory (FMT) whilst inputting the Mansoori–Carnahan–Starling–Leland bulk equation of state. Density profiles for the pure hard-sphere fluid and for some binary mixtures adsorbed at a planar hard wall obtained from the present functional exhibit some improvement over those from the original FMT. The pair direct correlation function c (2) ( r ) of the pure hard-sphere fluid, obtained from functional differentiation, is also improved. When a tensor weight function is incorporated for the pure system our functional yields a good description of fluid–solid coexistence and of the properties of the solid phase.

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Metadata

Authors
Roth, R., Evans, R., Lang, A., & Kahl, G.
Venue
Journal of Physics: Condensed Matter
Published
2002-11-13
Volume
14
Issue
46
Pages
12063-12078
ISSN
0953-8984 (ISSN-L)
OpenAlex
W2069834501
Cited by
677
References
10
FWCI
14.95
Type
journal article
Language
en
Open access
bronze

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CoChat. (2026). Citation check: Fundamental measure theory for hard-sphere mixtures revisited: the White Bear version. https://app.cochat.ai/papers/10.1088/0953-8984/14/46/313
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Roth, R., Evans, R., Lang, A., & Kahl, G. (2002). Fundamental measure theory for hard-sphere mixtures revisited: the White Bear version. Journal of Physics: Condensed Matter. https://doi.org/10.1088/0953-8984/14/46/313

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