Summary: The Explicit Density Functional, and its Connection with Entropy
Maximisation
Phil Attard
Ian Wark Research Institute, University of South Australia,
Mawson Lakes SA 5095 Australia
J. Stat. Phys. 100, 445­473 (2000)
Abstract
The intrinsic Helmholtz free energy, commonly used
as a basis for density functional theories, is here given
explicitly as a cluster diagram expansion with density
field points. Also given are explicit variational pro-
cedures for determining the chemical potential for a
given density, the pair potential for a given pair corre-
lation function, and the pair correlation function for
a given pair potential. The physical meaning of the
density functional is established within the context
of a new derivation of statistical mechanics based on
entropy that supplies a variational principle for equi-
librium by generalising the thermodynamic potential
to non-equilibrium states. This shows that the con-

Source: Attard, Phil - School of Chemistry, University of Sydney

Collections: Chemistry