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Structure of molecular liquids: closure relations for hard spheroids
David L Cheung1, Lucian Anton, Michael P Allen
1Department of Physics and Centre for Scientific Computing, University of Warwick, Coventry, CV4 7AL, United Kingdom. david.cheung@warwick.ac.uk
Abstract:
We present the results of Monte Carlo simulations of hard spheroids of revolution of different elongations. Both prolate and oblate shapes are examined. A systematic study of the bridge function b(1,2), and direct comparison with the indirect correlation function gamma(1,2)=h(1,2)-c(1,2) at densities spanning the isotropic fluid range, allow us to evaluate the accuracy of various proposed closure relations for integral equations.
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