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

Abstract

We present a new method for selectively sampling radial distribution functions and effective interaction potentials in asymmetric liquid mixtures using a Monte Carlo simulation. 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.

Keywords:

• Asymmetric liquid mixture
• Monte Carlo simulation
• Pair-correlation function
• Potential of the mean force

Acknowledgements

We thank A. Ayadim and S. Amokrane for useful discussions and careful reading of the manuscript.