On the Error in Quasi-Quantum Mechanical Calculations
Abstract
A numerical simulation of the vibration of a ground state H2 \nmolecule is made from a quasi-quantum mechanical point of view, \nthat is, energy has been determined by quantum mechanics and \ntrajectories determined by Newtonian mechanics. The numerical \nmethod used is implicit and conserves the energy exactly at \neach time step. A variety of CRAY X-MP/SE14 calculations are \ndescribed and discussed. Comparisons are made with correct \noscillation and diameter values.
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