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Wave-packet study of the products formed in dissociative recombination of HeH+
KTH, School of Biotechnology (BIO), Theoretical Chemistry (closed 20110512).
KTH, School of Biotechnology (BIO), Theoretical Chemistry (closed 20110512).
2005 (English)In: Physical Review A. Atomic, Molecular, and Optical Physics, ISSN 1050-2947, E-ISSN 1094-1622, Vol. 72, no 3, 032701- p.Article in journal (Refereed) Published
Abstract [en]

We present a theoretical study of the atomic fragment distributions formed in dissociative recombination of HeH+ at low energies (< 2 eV) using wave packets propagating on the potential-energy curves of HeH, coupled by nonadiabatic and rotational interactions. We show that at zero electron collision energy, dissociation into H(n=2)+He will completely dominate over dissociation into the ground-state fragments. When the n=3 channel become energetically open at E=0.334 eV a rapid switchover to this channel will occur. This phenomenon has previously been observed experimentally, but here we present a theoretical model showing these jumps in the branching ratios. We present an explanation for the observed sudden change in branching ratios and we also discuss how the branching ratios depend on the nonadiabatic couplings used in the model.

Place, publisher, year, edition, pages
2005. Vol. 72, no 3, 032701- p.
National Category
Atom and Molecular Physics and Optics
Identifiers
URN: urn:nbn:se:kth:diva-38446DOI: 10.1103/PhysRevA.72.032701ISI: 000232228300081Scopus ID: 2-s2.0-28844469916OAI: oai:DiVA.org:kth-38446DiVA: diva2:436831
Note
QC 20110825Available from: 2011-08-25 Created: 2011-08-25 Last updated: 2017-12-08Bibliographically approved

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