PubMed Health⌕ Search

Biomedical subjects

JA White

Publications and source records attributed to JA White.

At least 19 recordsLinked to original sources
PubMed2000

Density-functional theory of inhomogeneous fluids in the canonical ensemble

We present a density-functional approach for dealing with inhomogeneous fluids in the canonical ensemble. A general relation is proposed between the free-energy functionals in the canonical and the grand canonical ensembles. The minimization of the canonical-ensemble free-energy functional gives rise to Euler-Lagrange equations which involve averaged Ornstein-Zernike equations of second and third order. The theory is especially appropriate for systems with a small, fixed number of particles. As an example of application we obtain accurate results for the density profile of a hard-sphere fluid in a closed spherical cavity that contains only a few particles.

Journal Article↗
PubMed2000

Equivalence of two approaches for the inhomogeneous density in the canonical ensemble

In this Brief Report we show that the inhomogeneous density obtained from a density-functional theory of classical fluids in the canonical ensemble (CE), recently presented by White et al. [Phys. Rev. Lett. 84, 1220 (2000)], is equivalent to first order to the result of the series expansion of the CE inhomogeneous density introduced by Gonzalez et al. [Phys. Rev. Lett. 79, 2466 (1997)].

Journal Article↗
PubMed1997

MEETING REPORT

Explore the source record for details and available documents.

Journal Article↗