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Accurate Quasi-Quantum Mechanical Numerical Methodology

Greenspan, Donald

UTA ResearchCommons (University of Texas Arlington), 1990

Abstract

A quasi-quantum mechanical method in which energy is determined \nby quantum mechanics and motion by Newtonian mechanics is \nstudied by combining it with numerical methodology which \nconserves energy exactly at each time step. Application is made \nto the study of the diameter and vibrational frequency of the \nground state H2 molecule. The numerical results agree exactly \nwith experimental and quantum mechanical results.

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