title: Scalar fundamental measure theory for hard spheres in three dimensions: application to hydrophobic solvation.
abstract: Hard-sphere mixtures provide one a solvable reference system that can be used to improve the density functional theory of realistic molecular fluids. We show how the Kierlik-Rosinberg's scalar version of the fundamental measure density functional theory of hard spheres [E. Kierlik and M. L. Rosinberg, Phys. Rev. A 42, 3382 (1990)], which presents computational advantages with respect to the original Rosenfeld's vectorial formulation or its extensions, can be implemented and minimized in three dimensions to describe fluid mixtures in complex environments. This implementation is used as a basis for defining a molecular density functional theory of water around molecular hydrophobic solutes of arbitrary shape.
authors: École Normale Supérieure, Département de Chimie, UMR 8640 CNRS-ENS-UPMC, 24, rue Lhomond, 75005 Paris, France.
authors: Maximilien
authors: M
authors: Levesque
authors: Rodolphe
authors: R
authors: Vuilleumier
authors: Daniel
authors: D
authors: Borgis