M. Calleja et G. Rickayzen, MODIFIED MEISTER-KROLL DENSITY-FUNCTIONAL APPLIED TO THE STRUCTURE OFAN INHOMOGENEOUS HARD-SPHERE FLUID, Molecular physics, 79(4), 1993, pp. 809-818
An alternative choice for the coarse-grained density to be used in the
density functional introduced by Meister and Kroll is proposed and th
e resulting functional is used in the determination of the structure o
f a hard-sphere fluid near a hard wall. The coarse-grained density rho
(a)(r) is chosen as the long wavelength component of the actual densit
y rho(r). This ensures that rho(a)(r) is slowly varying compared with
rho(r). When compared with the density profile obtained by computer si
mulation, the results are comparable with those obtained by Groot and
van der Eerden. Both methods ensure that the density functional leads
to the correct direct correlation function of the homogeneous fluid.