Theoretical study of the excited states of NeH and of their non-adiabiatic couplings: A preliminary for the modeling of the dissociative recombination of NeH+
Potential energy curves and matrix elements of radial non-adiabatic couplings of the 2Σ+ and 2Π states of the NeH molecule are calculated using the electronic structure package MOLPRO, in view of the study of the reactive collisions between low-energy electrons and NeH+.
Authors
- D. Talbi (ORCID: https://orcid.org/0000-0003-0879-3538)
- I. F. Schneider (ORCID: https://orcid.org/0000-0002-4379-1768)
- Ryan P. Brady (ORCID: https://orcid.org/0000-0002-4161-5189)
- J. Zs. Mezei (ORCID: https://orcid.org/0000-0002-7223-5787)
- Jonathan Tennyson (ORCID: https://orcid.org/0000-0002-4994-5238)
- R. Hassaine
Institutions
- Centre National de la Recherche Scientifique (FR)
- Université Le Havre Normandie (FR)
- HUN-REN Institute for Nuclear Research (HU)
- Université de Montpellier (FR)
- Université Paris-Saclay (FR)
- Laboratoire Ondes et Milieux Complexes (FR)
- University College London (GB)
Publication Details
- Journal
- The Journal of Chemical Physics
- Published
- 2025-04-01
- DOI
- https://doi.org/10.1063/5.0261152
- Citations
- 2
- Primary Topic
- Advanced Chemical Physics Studies
- Type
- article
- Field-Weighted Citation Impact
- 2.49
Funders
- Communauté Université Grenoble Alpes
- Labex EMC3
- Centre National de la Recherche Scientifique
- Commissariat à l'Énergie Atomique et aux Énergies Alternatives
- Grand Équipement National De Calcul Intensif
- Normandie Université
- Région Normandie
- Nemzeti Kutatási, Fejlesztési és Innovaciós Alap