Jm. Bomont et Jl. Bretonnet, Renormalization of the indirect correlation function to extract the bridgefunction of simple fluids, J CHEM PHYS, 114(9), 2001, pp. 4141-4148
The standard integral equation approach is used to extract the bridge funct
ion and other correlation functions of simple fluids. To do this, we firstl
y use the hybridized mean spherical approximation (HMSA), which involves a
renormalization of the indirect correlation function. Secondly, we propose
a new division scheme for the pair potential founded on the merging process
of a test particle into the system. Thirdly, we take advantage of the ther
modynamic consistent condition put forward in the HMSA to optimize the dept
h of the long-range part of the pair potential inside the core, making the
procedure autonomous and state dependent. The method is tested on the pure
Lennard-Jones fluid in supercritical conditions. Very good agreement is obt
ained for structural quantities and thermodynamic properties as compared to
the Monte Carlo (MC) results for the bridge function and to the molecular
dynamics (MD) results for the thermodynamic properties. (C) 2001 American I
nstitute of Physics.