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+
Year: 2025
Type: article
Abstract: 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+.
Source: The Journal of Chemical Physics
DOI: 10.1063/5.0261152
Institutions: Centre National de la Recherche Scientifique, Université Le Havre Normandie, Laboratoire Ondes et Milieux Complexes, Université de Montpellier, Laboratoire Univers et Particules de Montpellier, Université Montpellier 2, University College London, HUN-REN Institute for Nuclear Research, Université Paris-Saclay
Language: English
Topic: Atomic and Molecular Physics
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: green
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
Awards: G6383882109, G7595662386
OpenAlex ID: W4409038864