Theory of Chemical Reaction Dynamics

Volume 145 of the series NATO Science Series II: Mathematics, Physics and Chemistry pp 149-185

Time-Dependent Wavepacket Calculations for Reactive Scattering and Photodissociation

  • Gabriel G. Balint-KurtiAffiliated withSchool of Chemistry, The University of Bristol
  • , Alex BrownAffiliated withDepartment of Chemistry, University of Alberta

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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.