STRUCTURE OF MOLECULAR LIQUIDS

Authors
ALLEN MP MASON CP DEMIGUEL E STELZER J
Citation
Mp. Allen et al., STRUCTURE OF MOLECULAR LIQUIDS, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics, 52(1), 1995, pp. 25-28
Citations number
36
Categorie Soggetti
Physycs, Mathematical","Phsycs, Fluid & Plasmas
Journal title
Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics → ACNP
ISSN journal
1063651X
Volume
52
Issue
1
Year of publication
1995
Part
A
Pages
25 - 28
Database
ISI
SICI code
1063-651X(1995)52:1<25:SOML>2.0.ZU;2-Y
Abstract
We present a method for calculating, by computer simulation, the direc t correlation function c(1,2) for a molecular liquid in the form of a spherical harmonic expansion. This allows us to test, at the most fund amental level, predictions of the structure of molecular liquids using density functional and integral equation approaches. As an example, w e test some simple Ansatze for c(1,2) for prolate hard ellipsoids of r evolution.