The explicit density functional and its connection with entropy maximization

Authors
Citation
P. Attard, The explicit density functional and its connection with entropy maximization, J STAT PHYS, 100(1-2), 2000, pp. 445-473
Citations number
16
Categorie Soggetti
Physics
Journal title
JOURNAL OF STATISTICAL PHYSICS
ISSN journal
00224715 → ACNP
Volume
100
Issue
1-2
Year of publication
2000
Pages
445 - 473
Database
ISI
SICI code
0022-4715(200007)100:1-2<445:TEDFAI>2.0.ZU;2-C
Abstract
The intrinsic Helmholtz free energy, commonly used as a basis for density f unctional 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 potent ial For a given pail correlation function, and the pair correlation functio n ibr a given pair potential. The physical meaning of the density functiona l is established within the context of a new derivation of statistical mech anics based on entropy th;lt supplies a variational principle for equilibri um by generalizing the thermodynamic potential to nonequlibrium states. Thi s shows that the conventional density functional determines not only the eq uilibrium density, but also the probability of fluctuations about that dens ity.