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Time dependent quantum theory of reactive molecular collisions

Conference paper
Part of the Lecture Notes in Chemistry book series (LNC, volume 77)

Summary

This lecture describes, in a pedagogic manner, the basic theory used in time dependent quantum reactive scattering theory. The calculations are based on propagating a prepared wavepacket forward in time using the time dependent Schrödinger equation. The advantages of the theory lie in the fact that a single time dependent propagation of the wavepacket provides the cross sections over a wide range of energies.

Keywords

Reaction Probability Hamiltonian Operator Capture Model Grid Representation Discrete Variable Representation 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer-Verlag Berlin Heidelberg 2001

Authors and Affiliations

  1. 1.School of ChemistryUniversity of Bristol BristolEngland,UK

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