Expanded Density Functionals

JK Percus - 1996 - ACS Publications
The free energy density functional format is increasingly used to represent the structure of
non-uniform fluids in thermal equilibrium. This representation can often be simplified and …

The structure of density functionals

JK Percus - Journal of Physics: Condensed Matter, 1994 - iopscience.iop.org
The density functional format for classical fluids in thermal equilibrium has the joint virtues of
simplicity and reasonable accuracy, but the drawback that ignorance of its basic structure …

Overcomplete density functional description

JK Percus - International journal of quantum chemistry, 1998 - Wiley Online Library
Although formally exact expressions can be written for thermodynamic potentials of many‐
particle systems in external fields, Legendre transformation to particle density as the …

[PDF][PDF] Density functional theory: from statics to dynamics

H Lowen - Journal of Physics-Condensed Matter, 2003 - Citeseer
The cornerstone of density functional theory of inhomogeneous classical fluids [1] is based
on a variational principle as first derived in 1964 by Kohn and Hohenberg [2] for zero …

Classical density functional theory in the canonical ensemble

JF Lutsko - Physical Review E, 2022 - APS
Classical density functional theory for finite temperatures is usually formulated in the grand-
canonical ensemble where arbitrary variations of the local density are possible. However, in …

Exact density functionals in one dimension

J Buschle, P Maass, W Dieterich - Journal of Physics A …, 2000 - iopscience.iop.org
We propose a new and general method for deriving exact density functionals in one
dimension for lattice gases with finite-range pairwise interactions. Corresponding continuum …

Density functional theory of homogeneous states

GL Jones, SC Kim - Journal of statistical physics, 1989 - Springer
We consider the weighted density approximation of the density functional description of
systems in thermal equilibrium. We show that knowledge of the intermolecular potential puts …

[HTML][HTML] Density functional theory in the classical domain

JK Percus - Theoretical and Computational Chemistry, 1996 - Elsevier
The proper description of physical matter depends upon both the circumstances under
which the matter is to be found and the degree of resolution required for any use to which …

Ornstein–Zernike formalism and entropy in lattice gases

JA Hernando, L Blum - Journal of Physics: Condensed Matter, 2002 - iopscience.iop.org
Lattice gas based models are usually discussed in terms of spin averages instead of
distribution functions. As they are very useful in the study of adsorption phenomena, a …

Density functional theory for general hard-core lattice gases

L Lafuente, JA Cuesta - Physical review letters, 2004 - APS
We put forward a general procedure to obtain an approximate free-energy density functional
for any hard-core lattice gas, regardless of the shape of the particles, the underlying lattice …