Abstract
Density functional approximations for the Helmholtz free energy in systems of hard spheres and hard disks are built, within the Fundamental Measure Theory, to reproduce the exact free energy of a cavity which cannot hold more than one particle. These systems, known as the zero-dimensional (0D) limit of hard particles, have an excess free energy from the impossibility of multiple occupation of the cavity, which depends only on the average number of particles in the cavity, at equilibrium with a reservoir. The structure of the FMT density functionals may be completely determined by this 0D limit. The bulk equation of state is a particular output of the approximation, rather than an input to build the density functional.
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Tarazona, P., Rosenfeld, Y. (1999). Free Energy Density Functional from 0D Cavities. In: Caccamo, C., Hansen, JP., Stell, G. (eds) New Approaches to Problems in Liquid State Theory. NATO Science Series, vol 529. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-4564-0_15
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DOI: https://doi.org/10.1007/978-94-011-4564-0_15
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