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Pair distribution functions for hard‐sphere mixtures
Author(s) -
Grundke E. W.,
Henderson D.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560060640
Subject(s) - verlet integration , hard spheres , binary number , distribution (mathematics) , statistical physics , yield (engineering) , simple (philosophy) , equation of state , pair distribution function , thermodynamics , mathematics , physics , mathematical analysis , quantum mechanics , molecular dynamics , philosophy , arithmetic , epistemology
Abstract We propose a simple algorithm for the pair distribution functions, g g , for binary hard‐sphere mixtures. This extends Verlet and Weis's method of improving the py g ( r ) for pure hard‐sphere fluids. The resulting functions are pressure‐consistent and yield virtually the correct equation of state.