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Ion-pair formation in electron recombination with H3+
Asa Larson1, Johanna Roos, Ann E Orel
1Department of Theoretical Chemistry, School of Biotechnology, Royal Institute of Technology, S-106 91 Stockholm, Sweden. aasa@theochem.kth.se
Abstract:
The process of resonant ion-pair formation following electron collisions with H3+ is studied. The relevant diabatic potential energy surfaces and the electronic couplings between these surfaces are calculated. The reaction is then described using a time-dependent approach with wave packets propagating on the coupled potentials. In order to describe the reaction, it is found necessary to include at least two dimensions in the model. The effects of the Rydberg states on the cross-section for this process are discussed.
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