Ian Wark Research Institute, University of South Australia, The Levels, SA 5095, Australia
J. Stat. Phys. 100 , 445-473 (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 procedures for determining
the chemical potential for a given density,
the pair potential for a given pair correlation 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 equilibrium
by generalising the thermodynamic potential
to non-equlibrium states.
This shows that the conventional density functional
determines not only the equilibrium density,
but also the probability of fluctuations about that density.
Key Words
Density Functional Theory,
Cluster Diagrams,
Maximum Entropy.
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