Quantum Reactive Scattering for Ion-neutral Collisions: The H3−-system
Reactive scattering is one of the fundamental processes in atomic and molecular collision dynamics. Reactions of hydrogen systems are of a particular interest in this respect, because they are amenable to the most rigorous theoretical treatment and thus represent ideal prototype cases for a detailed comparison of theory and experiment. This is best exemplified by the neutral hydrogen system H + H2 and F + H2 or the ionic system He + H 2 + . Quantum chemistry has provided a very accurate potential energy surface for these systems, especially for H + H2. The collision dynamics is treated by quasi-classical trajectory or by rigorous, fully converged quantum methods. There is a considerable number of very detailed experimental results on which theory can be tested.
KeywordsPotential Energy Surface Total Angular Momentum Reaction Probability Discrete Variable Representation Product Coordinate
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