Intermolecular potentials and the simulation of liquid water

A recently proposed intermolecular potential for the (H2O)2 dimer, obtained in part by fitting to the second virial coefficient of steam, is used in a molecular dynamics simulation of liquid water. The calculated distribution of oxygen atoms is compared with the distribution of molecular centers derived from x-ray data. Agreement with experiment is somewhat worse than for the CI model of Clementi and his co-workers.