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• W3100917672 abstract "Rosenfeld's fundamental measure theory for lattice models is given a rigorous formulation in terms of the theory of Mobius functions of partially ordered sets. The free-energy density functional is expressed as an expansion in a finite set of lattice clusters. This set is endowed a partial order, so that the coefficients of the cluster expansion are connected to its Mobius function. Because of this, it is rigorously proven that a unique such expansion exists for any lattice model. The low-density analysis of the free-energy functional motivates a redefinition of the basic clusters (zero-dimensional cavities) which guarantees a correct zero-density limit of the pair and triplet direct correlation functions. This new definition extends Rosenfeld's theory to lattice model with any kind of short-range interaction (repulsive or attractive, hard or soft, one- or multi-component...). Finally, a proof is given that these functionals have a consistent dimensional reduction, i.e. the functional for dimension d' can be obtained from that for dimension d (d'<d) if the latter is evaluated at a density profile confined to a d'-dimensional subset." @default.
• W3100917672 created "2020-11-23" @default.
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• W3100917672 date "2005-08-10" @default.
• W3100917672 modified "2023-09-23" @default.
• W3100917672 title "Cluster density functional theory for lattice models based on the theory of Möbius functions" @default.
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• W3100917672 doi "https://doi.org/10.1088/0305-4470/38/34/002" @default.
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