Abstract
The angle-averaged potential corresponding to a Weeks-Chandler-Andersen division of an anisotropic Kihara potential is obtained for several molecular models. Monte Carlo (MC) simulations are performed and the structural results are compared with those coming from Percus-Yevick (PY) and from reference hypernetted chain (RHNC) equations. PY and RHNC give similar results at low densities, but for high densities and large anisotropies PY fails while RHNC gives excellent agreement with MC results. Monte Carlo simulations for soft repulsive rods are also carried out, and Z 0, A 1 and A 2 are computed during the runs. A comparison of the simulated values with the theoretical ones as predicted by the perturbation scheme proposed by Fischer using PY and RHNC results for the background correlation function is also made.
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