Computer Studies of a Semiclassical Model of the Water Molecule
Abstract
**Please note that the full text is embargoed** ABSTRACT: A semiclassical model of the water molecule is formulated in
ground state as an eleven-body problem. The stiff system of
dynamical, nonlinear, ordinary differential equations is solved
numerically on a CRAY YMP supercomputer. An energy
conservative, implicit numerical method is used in order to
assure invariance of the ground state energy. From selected
initial data, the results of three examples, each run for 12
billion time steps, are shown to be entirely consistent with
experimental bond angle measurements.