A multiple hard-ellipsoid model for rotationally inelastic collisions

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Abstract

A multiple hard-ellipsoid model is developed to describe atom-diatom rotationally inelastic collisons. The model is designed to be used for 'soft' and anisotropic repulsive intermolecular potentials for which single hard-shape models fail to reproduce the integral cross-sections. It is shown for the Na2-He system that a small number of ellipsoids representing different regions of the repulsive intermolecular potential can be used within a classically impulsive approximation to reproduce the intergral J = 0 → J′ cross-sections. The model facilitates investigation of how different regions of the intermolecular potential contribute to rotationally inelastic scattering processes.

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Marks, A. J. (1994). A multiple hard-ellipsoid model for rotationally inelastic collisions. Journal of the Chemical Society, Faraday Transactions, 90(19), 2857–2863. https://doi.org/10.1039/FT9949002857

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