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arXiv · 1801.02983

Semiclassical initial value theory of rotationally inelastic scattering: Some remarks on the phase index in the interaction picture

Laurent Bonnet
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Abstract

This paper deals with the treatment of quantum interferences in the semiclassical initial value theory of rotationally inelastic scattering in the interaction picture [C. W. McCurdy and W. H. Miller, J. Chem. Phys. 67, 463 (1977)]. It is shown that substituting the original phase index by a new one extends the range of applicability of the theory. The resulting predictions are in close agreement with exact quantum scattering results for a model of atom-rigid diatom collision involving strong interferences. The developments are performed within the framework of the planar rotor model, but they are readily applicable to the three-dimensional case.

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Laurent Bonnet. 2018-01-09. Semiclassical initial value theory of rotationally inelastic scattering: Some remarks on the phase index in the interaction picture. https://doi.org/10.1063/1.5024785

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