Hassaine, R;
Talbi, D;
Brady, RP;
Mezei, JZ;
Tennyson, J;
Schneider, IF;
(2025)
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.
Journal of Chemical Physics
, 162
(13)
, Article 134302. 10.1063/5.0261152.
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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+
| Type: | Article |
|---|---|
| Title: | 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 |
| DOI: | 10.1063/5.0261152 |
| Publisher version: | https://doi.org/10.1063/5.0261152 |
| Language: | English |
| Additional information: | This version is the version of record. For information on re-use, please refer to the publisher’s terms and conditions. |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy |
| URI: | https://discovery.ucl.ac.uk/id/eprint/10207443 |
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