Thermodynamic consistency between the energy and virial routes in the mean spherical approximation for soft potentials

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Thermodynamic consistency between the energy and virial routes in the mean spherical approximation for soft potentials.

It is proven that, for any soft potential φ(r) characterized by a finite Fourier transform e φ(k), the virial and energy thermodynamic routes are equivalent if the Fourier transform of the total correlation function divided by the density ρ, eh(k)/ρ, is an arbitrary function of ρβ e φ(k), where β is the inverse temperature. This class of approximations includes the mean spherical approximation ...

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ژورنال

عنوان ژورنال: The Journal of Chemical Physics

سال: 2007

ISSN: 0021-9606,1089-7690

DOI: 10.1063/1.2712181