Rotational Transitions in the N<sub>2</sub><sup>+</sup> Ion Induced by Collisions with Helium Atoms in Cold Helium Plasmas. A Quasiclassical Trajectory Study-Reference-Cited by-同舟云学术

Rotational Transitions in the N₂⁺ Ion Induced by Collisions with Helium Atoms in Cold Helium Plasmas. A Quasiclassical Trajectory Study

Published:2023-11-15 Issue:1 Volume:25 Page:
ISSN:1439-4235
Container-title:ChemPhysChem
language:en
Short-container-title:ChemPhysChem

Author:

Paláček Stanislav¹,Kalus René²^ORCID,Gadéa Florent Xavier³,Benhenni Malika⁴,Leininger Thierry³,Yousfi Mohammed⁴

Affiliation:

1. IT4Innovations National Supercomputing Center and Department of Applied Mathematics Faculty of Electrical Engineering and Computer Science VŠB – Technical University of Ostrava 17. listopadu 2172/15 708 00 Ostrava – Poruba Czech Republic

2. Department of Applied Mathematics Faculty of Electrical Engineering and Computer Science VŠB – Technical University of Ostrava 17. listopadu 2172/15 708 00 Ostrava – Poruba Czech Republic

3. Laboratoire de Chimie et Physique Quantiques, UMR5626 du CNRS Université Toulouse III – Paul Sabatier 31062 Toulouse Cedex 09 France

4. Laboratoire Plasma et Conversion d'Energie LAPLACE & UMR5213 du CNRS Université Toulouse III – Paul Sabatier 118 route de Narbonne 31062 Toulouse Cedex France

Abstract

AbstractCross‐sections of state‐to‐state rotational transitions in electronically ground‐state 14

(X2

) ions induced by collisions with 4He atoms have been calculated using a quasiclassical trajectory method and a set of artificial neural networks representing the /He potential energy surface. The training points for the neural networks have been calculated at a MCSCF (multi‐configuration self‐consistent field)/aug‐cc‐pVQZ level. A broad range of the /He collision energy has been considered ( eV) and the efficiency of vibrational transitions in the ion has also been analyzed. It has been found that vibrational transitions are negligible with respect to rotational transitions up to eV and that above this energy, both rotational and vibrational transitions in are marginal in the /He collisions.

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Atomic and Molecular Physics, and Optics

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