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

Jean Guillaume Malherbe (1) , Werner Krauth (2)

1 PLMC - Physique Liquide et Milieux Complexes
2 ENS-PSL - École normale supérieure - Paris

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

Mots clés: Physical Sciences

Domaines: Physique [physics]

Jean Guillaume Malherbe, Werner Krauth. Selective-pivot sampling of radial distribution functions in asymmetric liquid mixtures. Molecular Physics, 2008, 105 (17-18), pp.2393-2398. ⟨10.1080/00268970701678907⟩. ⟨hal-00513145⟩