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Analysis of the fundamental measures theory in extreme dimensional-crossover situations

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Abstract Book of the XXIII IUPAP International Conference on Statistical Physics, Genova, Italy, (9-13 July 2007)

Аннотация

Two density functional theories, the Fundamental measures theory of Rosenfeld and a subsequent approximation by Tarazona are applied to the fluid of hard spheres in a cylindrical pore and a spherical cavity. The results are compared with those obtained from Monte Carlo simulation. In general we obtain excellent agreement between both theories and simulation. However, in situations with a manifest dimensional crossover from three to one or zero dimensions Rosenfeld's theory fails while Tarazona's theory still yields very good results. This behavior is related to the fact that the later theory was explicitely developed from the requirement of having the correct dimensional-crossover properties.

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