Collisional rates based on the first potential energy surface of the NeH+ −He system - CNRS - Centre national de la recherche scientifique Accéder directement au contenu
Article Dans Une Revue Monthly Notices of the Royal Astronomical Society Année : 2017

Collisional rates based on the first potential energy surface of the NeH+ −He system

Résumé

The potential energy surface is computed at the explicitly correlated coupled cluster with simple, second and perturbative triple excitation method (CCSD(T)-F12) in connection with the augmented-correlation consistent-polarized valence triple zeta (aug-cc-pVTZ) Gaussian basis set for the NeH + −He system. The calculations were performed by first taking into account the vibration of the molecule and then averaging the so-obtained three-dimensional potential. From this average interaction potential, cross-sections among the 11 first rotational levels of NeH + induced by collision with He are calculated for energies up to 4000 cm −1 using the quantum mechanical close coupling (CC) approach. Collisional rate coefficients are obtained by thermally averaging these cross-sections at low temperature (T ≤ 300 K). The propensity rules of the rotational transitions obtained in this paper are discussed and compared with those of HeH + and ArH + in collision with electron. This work may be helpful for the eventual investigations, both theoretical and experimental, focused to detect the key cationic noble gas hydride NeH + in the interstellar and circumstellar media as well as in laboratory experiments.
Fichier principal
Vignette du fichier
9_b-Article2.pdf (743.08 Ko) Télécharger le fichier
Origine : Fichiers éditeurs autorisés sur une archive ouverte

Dates et versions

hal-03078732 , version 1 (16-12-2020)

Identifiants

Citer

Cheikh Bop, K. Hammami, N. P. Faye. Collisional rates based on the first potential energy surface of the NeH+ −He system. Monthly Notices of the Royal Astronomical Society, 2017, 470 (3), pp.2911 - 2917. ⟨10.1093/mnras/stx1369⟩. ⟨hal-03078732⟩
14 Consultations
48 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More