Fundamental measure theory for lattice fluids with hard core interactions

Details Fundamental measure theory for lattice fluids with hard core interactions Fundamental measure theory for lattice fluids with hard core interactions

2002-05-30

arxiv.org/abs/cond-mat/0205648v1

Physics

Condensed Matter

Soft Condensed Matter

22 pages, 7 figures, needs IOPP LaTeX styles files

Scientific paper

10.1088/0953-8984/14/46/314

We present the extension of Rosenfeld's fundamental measure theory to lattice models by constructing a density functional for d-dimensional mixtures of parallel hard hypercubes on a simple hypercubic lattice. The one-dimensional case is exactly solvable and two cases must be distinguished: all the species with the same lebgth parity (additive mixture), and arbitrary length parity (nonadditive mixture). At the best of our knowledge, this is the first time that the latter case is considered. Based on the one-dimensional exact functional form, we propose the extension to higher dimensions by generalizing the zero-dimensional cavities method to lattice models. This assures the functional to have correct dimensional crossovers to any lower dimension, including the exact zero-dimensional limit. Some applications of the functional to particular systems are also shown.

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