title: Predictions of the properties of water from first principles.
abstract: A force field for water has been developed entirely from first principles, without any fitting to experimental data. It contains both pairwise and many-body interactions. This force field predicts the properties of the water dimer and of liquid water in excellent agreement with experiments, a previously elusive objective. Precise knowledge of the intermolecular interactions in water will facilitate a better understanding of this ubiquitous substance.
authors.affiliation: Department of Physics and Astronomy, University of Delaware, Newark, DE 19716, USA.
authors.forename: Robert
authors.initials: R
authors.lastname: Bukowski
authors.forename: Krzysztof
authors.initials: K
authors.lastname: Szalewicz
authors.forename: Gerrit C
authors.initials: GC
authors.lastname: Groenenboom
authors.forename: Ad
authors.initials: A
authors.lastname: van der Avoird