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arXiv · 0705.4168

Selective-pivot sampling of radial distribution functions in asymmetric liquid mixtures

J. G. Malherbe·Werner Krauth
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Abstract

We present a Monte Carlo algorithm for selectively sampling radial distribution functions and effective interaction potentials in asymmetric liquid mixtures. We demonstrate its efficiency for hard-sphere mixtures, and for model systems with more general interactions, and compare our simulations with several analytical approximations. For interaction potentials containing a hard-sphere contribution, the algorithm yields the contact value of the radial distribution function.

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J. G. Malherbe, Werner Krauth. 2007-05-29. Selective-pivot sampling of radial distribution functions in asymmetric liquid mixtures. https://doi.org/10.1080/00268970701678907

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