Monte Carlo and hypernetted chain equation of state for the square-well fluid

Abstract

Results of Monte Carlo and hypernetted chain theory calculations are reported for both the radial distribution function and the equation of state of the square-well fluid for the particular case where the potential is cut off at 1.5σ, where σ is the hard sphere diameter. At high densities, substantial errors are found in the hypernetted chain equation results at all temperatures. However, these errors are very nearly independent of temperature. The hypernetted chain theory accounts for the perturbing effects of the attractive forces with good accuracy despite appreciable errors in the treatment of the repulsive forces. Copyright © 1976 American Institute of Physics.