CONVERGENCE OF SPHERICAL HARMONIC EXPANSIONS FOR THE EVALUATION OF HARD-SPHERE CLUSTER INTEGRALS

被引:1
作者
PHILLIES, GDJ
机构
[1] Department of Physics, Worcester Polytechnic Institute, Worcester, 01609, Massachusetts
关键词
MATHEMATICAL METHODS; VIRIAL COEFFICIENTS; CLUSTER INTEGRALS;
D O I
10.1007/BF01017974
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
For N 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 and N-1 interesting integrals. For hard spheres, the N-1 interesting integrals are products of polynomials integrated between binomial bounds. With simple clusters, closed forms are obtained; for more complex clusters, infinite series in l (of Y(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.
引用
收藏
页码:577 / 585
页数:9
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