A test-particle method for the calculation of the three-particle distribution function of the hard-sphere fluid: density functional theory and simulation
A. Gonzalez et al., A test-particle method for the calculation of the three-particle distribution function of the hard-sphere fluid: density functional theory and simulation, J PHYS-COND, 11(19), 1999, pp. 3789-3798
The three-particle distribution function g((3)) of the homogeneous hard-sph
ere fluid is studied by means of the test-particle method of Percus. We con
sider an inhomogeneous situation in which the position of two particles is
fixed and the inhomogeneous density profile that arises is related to g((3)
). The profile is calculated via Monte Carlo (MC) simulation and density fu
nctional theory (DFT). The results of the simulation are compared with stan
dard MC results for the homogeneous fluid in order to check the numerics. T
he results of DFT are compared with MC data, showing a significant improvem
ent over the well-known superposition approximation of Kirkwood.