论文信息 - Gaussian Model Potentials for Molecular Interactions

Gaussian Model Potentials for Molecular Interactions

Simple analytical forms for the orientation dependence of the potential between two molecules are derived from a Gaussian overlap model. Orientation‐dependent range and energy parameters are determined, which can be used with any two‐parameter atomic potential to give simple and reasonable polyatomic potentials.

Bruce J. Berne | B. Berne | P. Pechukas | Philip Pechukas

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