Abstract
After reviewing the time dependent wavepacket method as applied to collision induced dissociation processes,we report accurate quantum results for reactive and non reactive collinear A+BC systems. Both systems display a vibrational enhancement effect in the low energy region. While the non reactive systems exhibit a vibrational inhibition effect at higher energies,a more complex behavior is observed in the reactive case. Below the classical dissociation threshold,the non reactive systems display tunnelling tails which decrease with the initial vibrational excitation of the diatomic molecule. The reactive system displays important quantum effects at energies well above the classical dissociation threshold.
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© 1986 D. Reidel Publishing Company
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Leforestier, C. (1986). The Time Dependent Wavepacket Method: Application to Collision Induced Dissociation Processes. In: Clary, D.C. (eds) The Theory of Chemical Reaction Dynamics. NATO ASI Series, vol 170. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-4618-7_10
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DOI: https://doi.org/10.1007/978-94-009-4618-7_10
Publisher Name: Springer, Dordrecht
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