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Parameterizing a Simple Potential Energy Function Appropriate for Vibrational Frequencies Using Molecular Dynamics
A Maple scheme for quickly parameterizing vibrational potential energy functions is presented. As an example, the potential energy function\u27s 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\u27\u27 paper for student usage