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Monte Carlo study of the pair correlation function for a liquid with non-central forces
Authors:S.S. Wang  C.G. Gray  P.A. Egelstaff  K.E. Gubbins
Affiliation:Department of Physics, University of Guelph, Guelph, Ontario, Canada;Department of Chemical Engineering, University of Florida, Gainesville, Florida 32601, USA
Abstract:
The pair correlation function g(R), giving the probability that the centers of two nonspherical molecules are a distance R apart irrespective of their orientations, has been studied by the Monte Carlo method. The pair potential model studied is of the type uo + ua, where uo is the isotropic Lennard-Jones (12,6) potential and ua is either a dipole-dipole, quadrupole-quadrupole, or anisotropic overlap interaction. Dipolar and quadrupolar forces are found to have a small effect on g(R), whereas anisotropic overlap forces have a large effect.
Keywords:
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