Dissociative recombination of N2H+: a revisited study
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Authors
Mezei, János Zsolt
Ayouz, Mehdi A.
Orban, Andrea
Abdoulanziz, Abdillah
Talbi, Dahbia
Kashinski, David O.
Bron, Emeric
Kokoouline, Viatcheslav
Schneider, Ioan F.
Issue Date
2023
Type
journal-article
Language
Keywords
Biochemistry , Biophysics , Structural Biology
Alternative Title
Abstract
Dissociative recombination of N2H+ is explored in a two-step theoretical study. In a first step, a diatomic (1D) rough model with a frozen NN bond and frozen angles is adopted, in the framework of the multichannel quantum defect theory (MQDT). The importance of the indirect mechanism and of the bending mode is revealed, in spite of the disagreement between our cross section and the experimental one. In the second step, we use our recently elaborated 3D approach based on the normal mode approximation combined with R-matrix theory and MQDT. This approach results in satisfactory agreement with storage-ring measurements, significantly better at very low energy than the former calculations.
Description
Citation
Mezei, J.Z., Ayouz, M.A., Orbán, A. et al. Dissociative recombination of N2 H+ : a revisited study. Eur. Phys. J. Spec. Top. (2023). https://doi.org/10.1140/epjs/s11734-023-00922-5
Publisher
The European Physical Journal
License
Journal
Volume
Issue
PubMed ID
ISSN
1951-6355
1951-6401
1951-6401