A state-dependent division scheme for the potential of simple fluids

Citation
Jm. Bomont et Jl. Bretonnet, A state-dependent division scheme for the potential of simple fluids, PHYS CHEM L, 39(1), 2001, pp. 55-65
Citations number
20
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
PHYSICS AND CHEMISTRY OF LIQUIDS
ISSN journal
00319104 → ACNP
Volume
39
Issue
1
Year of publication
2001
Pages
55 - 65
Database
ISI
SICI code
0031-9104(2001)39:1<55:ASDSFT>2.0.ZU;2-9
Abstract
A new division scheme for the pair potential into long-range and short-rang e parts is presented, which takes account of the dependence on the density and makes possible the extraction of the bridge function B(r) in the core r egion. The calculation of the correlation functions is carried out with the hybridized mean spherical approximation (HMSA). As attested by the compari son with the simulation results, HMSA used with this potential separation i s suitable to produce accurate bridge function and pair correlation functio n for the Lennard-Jones fluid.