Close to the edge of fundamental measure theory: a density functional for hard-sphere mixtures

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dc.contributor.author Cuesta, José A.
dc.contributor.author Martínez-Ratón, Yuri
dc.contributor.author Tarazona, Pedro
dc.date.accessioned 2010-02-25T11:41:45Z
dc.date.available 2010-02-25T11:41:45Z
dc.date.issued 2002-11-25
dc.identifier.bibliographicCitation Journal of Physics: Condensed Matter, 2002, vol. 14, n. 46, p. 11965-11980
dc.identifier.issn 0953-8984 (Print)
dc.identifier.issn 1361-648X (Online)
dc.identifier.uri http://hdl.handle.net/10016/7033
dc.description 16 pages, 7 figures.-- PACS nrs.: 05.20.Jj, 61.20.Gy, 61.25.Em.-- ArXiv pre-print available at: http://arxiv.org/abs/cond-mat/0205256
dc.description Final publisher version available Open Access at: http://gisc.uc3m.es/~cuesta/papers-year.html
dc.description.abstract We analyse the structure of the fundamental measure theory for the free energy density functional of hard-sphere mixtures. A comparative study of the different versions of the theory, and other density functional approaches, is carried out in terms of their generic form for the three-point direct correlation function, which shows clearly the main advantages and problems of the different approximations. A recently developed version for the monocomponent case is extended to mixtures of hard spheres with different radii, and a new prescription is presented for obtaining the exact dimensional crossover of those mixtures in the one-dimensional (1D) limit. Numerical results for planar wall–fluid interfaces and for the 1D fluid are presented.
dc.description.sponsorship This work is part of the research projects PB97-1223-C02-01 (DGESIC), BFM2001-1679-C03-02 (DGI) and BFM2000-0004 (DGI) of the Ministerio de Ciencia y Tecnología (Spain). Yuri Martínez-Ratón acknowledges financial support fromapostdoctoral grant of the Dirección General de Investigación of the Consejería de Educación de la Comunidad de Madrid (Spain).
dc.format.mimetype application/pdf
dc.language.iso eng
dc.publisher IOP Publishing
dc.rights © IOP Publishing
dc.subject.other [PACS] Statistical mechanics of classical fluids
dc.subject.other [PACS] Theory and models of liquid structure
dc.subject.other [PACS] Molecular liquids
dc.title Close to the edge of fundamental measure theory: a density functional for hard-sphere mixtures
dc.type article
dc.type.review PeerReviewed
dc.description.status Publicado
dc.relation.publisherversion http://dx.doi.org/10.1088/0953-8984/14/46/307
dc.subject.eciencia Matemáticas
dc.identifier.doi 10.1088/0953-8984/14/46/307
dc.rights.accessRights openAccess
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