International Journal of Quantum Chemistry
Volume 6, Issue S6 pp. 383-385
Article
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Pair distribution functions for hard-sphere mixtures

E. W. Grundke, 

E. W. Grundke

Department of Applied Mathematics, University of Waterloo, Waterloo, Ontario, Canada

Pre-doctoral fellow of the National Research Council of Canada. Temporary address: IBM Research Laboratory, San Jose, California 95114. Address after August, 1972: Department of Physics, University of Alberta, Edmonton Alberta, Canada.

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D. Henderson, 

D. Henderson

IBM Research Laboratory, San Jose, California 95114

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First published: 17/22 January 1972
https://doi.org/10.1002/qua.560060640

Abstract

We propose a simple algorithm for the pair distribution functions, gg, 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.

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