E. Scalas et R. Ferrando, PAIR-CORRELATION FUNCTION IN 2-DIMENSIONAL LATTICE GASES, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics, 49(1), 1994, pp. 513-520
The pair-correlation function -in two-dimensional lattice gases is com
puted by means of three discretized classical equations for the struct
ure of liquids: the hypernetted-chain, the Percus-Yevick, and the cros
sover integral equations. The equations are numerically solved by an i
teration procedure. Two different systems are considered: the Ising-Pe
ierls lattice gas with nearest-neighbor interactions and a model for 0
adsorbed on the W(110) surface, in which interactions up to the fourt
h neighbors are taken into account. The values of the pair-correlation
function for nearest, next-nearest, and next-next-nearest neighbors a
re compared with the results of Monte Carlo simulations at four differ
ent coverages theta (theta=1/8,1/4,1/2,3/4) as functions of the latera
l coupling. It turns out that the crossover integral equation gives th
e best agreement with Monte Carlo data in both systems, being accurate
especially at low theta, whereas the Percus-Yevick equation fails in
a wide range of parameters.