Fundamental measure theory for lattice fluids with hard-core interactions

Abstract

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 length parity (additive mixture), and arbitrary length parity (nonadditive mixture). To the best of our knowledge, this is the first time that the latter case has been considered. Based on the one-dimensional exact functional form, we propose the extension to higher dimensions by generalizing the zero-dimensional cavity method to lattice models. This assures the functional will 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.