2 resultados para zero-point vibrational energy

em University of Connecticut - USA


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The Birge Sponer extrapolation is explained using examples.

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A Maple scheme for quickly parameterizing vibrational potential energy functions is presented. As an example, the potential energy function's parameters for the vibrational motions in H_2O_2 are obtained assuming the simplest potential energy function. This paper was originally written as a research paper, but rejected by the referees. It is therefore being edited into an ``educational'' paper for student usage.