Rotational excitation of ^sup 36^ArH+ by He at low temperature

In this paper, we focus on the determination of the rotational excitation rate coefficients of the first observed molecule containing noble gas ^sup 36^ArH+ isotope by He. Hence, we present the first potential energy surface (PES) of ArH+ -He van der Waals system. The interaction PES of the ArH+(X^s...

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Bibliographic Details
Published in:Monthly notices of the Royal Astronomical Society 2017-02, Vol.465 (1), p.1137
Main Authors: Bop, Cheikh T, Hammami, K, Niane, A, Faye, N A B, Jaïdane, N
Format: Article
Language:English
Subjects:
Astronomy
Experiments
Gases
Isotopes
Low temperature physics
Online Access:Get full text
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Summary:In this paper, we focus on the determination of the rotational excitation rate coefficients of the first observed molecule containing noble gas ^sup 36^ArH+ isotope by He. Hence, we present the first potential energy surface (PES) of ArH+ -He van der Waals system. The interaction PES of the ArH+(X^sup 1^...)-He(^sup 1^S) complex is calculated by the ab initio explicitly correlated coupled cluster with single, double, and perturbative triple excitation (CCSD(T)-F12) method in connection with the augmented correlation consistent triple zeta Gaussian basis (aug-cc-pVTZ). The interaction potential presents two global minima of 708.00 and 172.98 cm^sup -1^ below the ArH+(X^sup 1^...)-He(^sup 1^S) dissociation limit. Using the PES obtained, we have computed integral inelastic cross-sections in the close-coupling approach among the first 11 rotational levels of ArH+ for energies up to 2500 cm^sup -1^. Downward rate coefficients were determined at low temperature (T ≤ 300 K). It is expected that the data worked out in this study may be beneficial for further astrophysical investigations as well as laboratory experiments. (ProQuest: ... denotes formulae/symbols omitted.)
ISSN:0035-8711
1365-2966