title: Bridge function for the dipolar fluid from simulation.
abstract: The exact bridge function of the Lennard-Jones dipolar (Stockmayer) fluid is extracted from Monte Carlo simulation data. The projections g(mnl)(r) onto rotational invariants of the non-spherically symmetric pair distribution function g(r, Ω) are accumulated during simulation. Making intensive use of anisotropic integral equation techniques, the molecular Ornstein-Zernike equation is then inverted in order to derive the direct correlation function c(mnl)(r), the cavity function y(mnl)(r), the negative excess potential of mean force lny|(mnl)(r), and the bridge function b(mnl)(r) projections. b(r, Ω) presents strong, non-universal anisotropies at high dipolar coupling. This simulation data analysis may serve as reference and guide for approximated bridge function theories of dipolar fluids and is a valuable step towards the case of more refined, nonlinear water-like geometries.
authors.affiliation: CRMD, CNRS, Université d'Orléans, 1B rue de la Férollerie, 45071-Orléans Cedex, France. puibasset@cnrs-orleans.fr
authors.forename: Joël
authors.initials: J
authors.lastname: Puibasset
authors.forename: Luc
authors.initials: L
authors.lastname: Belloni