On the Error in Quasi-Quantum Mechanical Calculations
Abstract
**Please note that the full text is embargoed** ABSTRACT: A numerical simulation of the vibration of a ground state H2
molecule is made from a quasi-quantum mechanical point of view,
that is, energy has been determined by quantum mechanics and
trajectories determined by Newtonian mechanics. The numerical
method used is implicit and conserves the energy exactly at
each time step. A variety of CRAY X-MP/SE14 calculations are
described and discussed. Comparisons are made with correct
oscillation and diameter values.