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AbstractAbstract
[en] A close-coupling approach to the calculation of quantal vibrational transition probabilities for the fixed angle scattering of a linear triatomic molecule with another linear triatomic molecule is described. The method is applied to the 12CO2 + 13CO2 collisional system. For a calculated inelastic transition probability to have an appreciable magnitude, it is found that the amount of energy transferred in a transition must be very small and just one quantum of energy must be exchanged between either the symmetric stretch or the asymmetric stretch vibrational modes of 12CO2 and 13CO2. For collisional energies away from threshold, the probabilities for transitions involving the symmetric stretch 12CO2 and 13CO2 modes are insensitive to long range multipole terms in the potential energy surface, while the probabilities for energy exchange between the asymmetric stretch modes are considerably diminished when the long range terms are removed from the potential energy surface. A brief discussion is presented on the possibilities of extending the technique to the calculation of vibrational excitation cross sections for three-dimensional triatiom-triatom collisions. (orig.)
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Journal Article
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Chemical Physics; ISSN 0301-0104;
; v. 57(3); p. 297-309

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