Analytic potential for water: a Monte Carlo study

We have recently studied by Monte Carlo computer simulation a potential function for liquid water that is tractable analytically. This potential is a modification of the BBL potential with an additional octopolar interaction term. This potential consisted of a hard core plus electrostatic and short range orientational terms. In the present study we introduce a modification in which the repulsive spherical core is softened by means of an exponential term. The atom-atom pair correlation functions for oxygen-oxygen, oxygen-hydrogen and hydrogen-hydrogen obtained for this new potential are in excellent agreement with the neutron scattering experiments.