Polarization forces in water deduced from single molecule data

Abstract

Intermolecular polarization interactions in water are determined using a minimal atomic multipole model constructed with distributed polarizabilities. Hydrogen bonding and other properties of water-water interactions are reproduced to fine detail by only three multipoles $μ_H$, $μ_O$, and $θ_O$ and two polarizabilities $α_O$ and $α_H$, which characterize a single water molecule and are deduced from single molecule data.