Convergence of spherical harmonic expansions for the evaluation of hard-sphere cluster integrals |
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Authors: | George D. J. Phillies |
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Affiliation: | (1) Department of Physics, Worcester Polytechnic Institute, 01609 Worcester, Massachusetts |
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Abstract: | ForN particles (N>2), by means of a spherical harmonic expansion of Silverstone and Moats, a 3N-dimensional cluster may be reduced to 2N+1 trivial integrals andN–1 interesting integrals. For hard spheres, theN–1 interesting integrals are products of polynomials integrated between binomial bounds. With simple clusters, closed forms are obtained; for more complex clusters, infinite series inl (ofYlm) appear. It is here shown for representative cases that these series converge exponentially rapidly, the leading pair of terms accounting for all but a few tenths of a percent of the total cluster integral. |
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Keywords: | Mathematical methods virial coefficients cluster integrals |
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