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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Institution: | (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 (ofY
lm
) 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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