Integral equation approximations for fluids of hard spheres with linear quadrupoles
作者： G.N. Patey
DOI: 10.1080/00268977800101061
关键词: Hard spheres 、 Monte Carlo method 、 Physics 、 Integral equation 、 Quantum Monte Carlo 、 Mathematical analysis 、 Summation equation 、 Spherical approximation 、 Closure (topology)
摘要: In this paper we solve numerically several integral equation theories for the dense quadrupolar hard-sphere fluid. Closure approximations obtained by expanding hypernetted-chain are shown to give pair-correlation functions and internal energies in good agreement with Monte Carlo calculations. The mean spherical approximation, however, is found be extremely poor.
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