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Fifth to eleventh virial coefficients of hard spheres
Andrew J Schultz1, David A Kofke1
1Department of Chemical and Biological Engineering, University at Buffalo, The State University of New York, Buffalo, New York 14260-4200, USA.
Abstract:
Virial coefficients B(n) of three-dimensional hard spheres are reported for n=5 to 11, with precision exceeding that presently available in the literature. Calculations are performed using the recursive method due to Wheatley, and a binning approach is proposed to allow more flexibility in where computational effort is directed in the calculations. We highlight the difficulty as a general measure that quantifies performance of an algorithm that computes a stochastic average and show how it can be used as the basis for optimizing such calculations.
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