Mixed quantum/classical theory for inelastic scattering of asymmetric-top-rotor + atom in the body-fixed reference frame and application to the H₂O + He system.

Abstract

The mixed quantum/classical theory (MQCT) for inelastic molecule-atom scattering developed recently [A. Semenov and D. Babikov, J. Chem. Phys. 139, 174108 (2013)] is extended to treat a general case of an asymmetric-top-rotor molecule in the body-fixed reference frame. This complements a similar theory formulated in the space-fixed reference-frame [M… (More)
DOI: 10.1063/1.4895607

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Cite this paper

@article{Semenov2014MixedQT, title={Mixed quantum/classical theory for inelastic scattering of asymmetric-top-rotor + atom in the body-fixed reference frame and application to the H₂O + He system.}, author={Alexander Semenov and Marie-Lise Dubernet and Dmitri Babikov}, journal={The Journal of chemical physics}, year={2014}, volume={141 11}, pages={114304} }