Physical Review Letters, 16 Nov. 1998, vol.81, (no.20):4400-3.
Roles of repulsive and attractive forces in determining the structure of
nonuniform liquids: generalized mean field theory
Weeks, J.D.; Katsov, K.; Vollmayr, K.
The structure of a nonuniform Lennard-Jones (LJ) liquid near a hard
wall is approximated by that of a reference fluid with repulsive
intermolecular forces in a self-consistently determined external mean
field incorporating the effects of attractive forces. We calculate the
reference fluid structure by first determining the response to the slowly
varying part of the field alone, followed by the response to the harshly
repulsive part. Both steps can be carried out very accurately, as
confirmed by Monte Carlo simulations, and good agreement with the
structure of the full LJ fluid is found.
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