Abstract
AbstractDissociative recombination of N$$_2$$
2
H$$^+$$
+
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.
Funder
Laboratoire d’Excellence EMC3
National Research, Development and Innovation Office
Agence Nationale de la Recherche
European Cooperation in Science and Technology
National Coordination Office
Campus France
ELKH Institute for Nuclear Research
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy,General Materials Science
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1. Quantum dynamics in molecular systems;The European Physical Journal Special Topics;2023-08-23