Collective dispersion forces in the fluid state
Max-Planck-Institute for the Physics of Complex Systems - Nöthnizer Straß e 38, 01187 Dresden, Germany, EU
2 Laboratory de Physicochimie théorique, Gulliver, CNRS-ESPCI - 10 rue Vauquelin, 75005, Paris, France, EU
Accepted: 26 August 2010
Dispersion interactions lead to effective many-body interactions which go beyond the approximation of pair potentials widely used in modeling of materials, leading in the continuum limit to Lifshitz theory. We introduce quantum dispersion interactions in simulations of polarizable atoms, incorporating the fully summed, non-retarded Lifthitz theory in arbitrary fluctuating geometries. We sample the quantum degrees of freedom using a heat bath algorithm adapted to the polarization fluctuations of individual atoms. We demonstrate asymmetric screening of interactions in a binary fluid.
PACS: 61.20.Ja – Computer simulation of liquid structure / 34.20.Cf – Interatomic potentials and forces / 05.10.Ln – Monte Carlo methods
© EPLA, 2010