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Time-Dependent Wavepacket Calculations for Reactive Scattering and Photodissociation

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Theory of Chemical Reaction Dynamics

Part of the book series: NATO Science Series II: Mathematics, Physics and Chemistry ((NAII,volume 145))

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Abstract

The theory of time-dependent wavepaeket calculations of reactive scattering and photodissociation is briefly reviewed and some illustrative results presented. Particular attention will be paid to the theory of differential scattering cross sections, arising from both types of process, and to the symmetry of angular dependent scattering in a photodissociation process. Electronically non-adiabatic processes will be discussed and illustrations from the reactive scattering of O(1D) + H2 and from the photodissociation of HF are presented.

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Authors and Affiliations

  1. School of Chemistry, The University of Bristol, Bristol, BS8 1TS, UK

    Gabriel G. Balint-Kurti

  2. Department of Chemistry, University of Alberta, Edmonton, AB, T6G 2G2, Canada

    Alex Brown

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  1. Gabriel G. Balint-Kurti
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  2. Alex Brown
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  1. Department of Chemistry, University of Perugia, Perugia, Italy

    Antonio Lagana

  2. Institute of Chemistry, Chemical Research Center, Budapest, Hungary

    Gyögy Lendvay

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Balint-Kurti, G.G., Brown, A. (2004). Time-Dependent Wavepacket Calculations for Reactive Scattering and Photodissociation. In: Lagana, A., Lendvay, G. (eds) Theory of Chemical Reaction Dynamics. NATO Science Series II: Mathematics, Physics and Chemistry, vol 145. Springer, Dordrecht. https://doi.org/10.1007/1-4020-2165-8_7

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