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Rate coefficients for the rotational de-excitation of OCS by collision with He
Indexado
WoS WOS:001128162900002
Scopus SCOPUS_ID:85181018887
DOI 10.1051/0004-6361/202348272
Año 2023
Tipo artículo de investigación

Citas Totales

Autores Afiliación Chile

Instituciones Chile

% Participación
Internacional

Autores
Afiliación Extranjera

Instituciones
Extranjeras


Abstract



Context. In typical molecular clouds, analyzing the physicochemical conditions with nonlocal thermodynamic equilibrium models requires knowledge of the collisional rate coefficients between the detected molecule and the most common colliders in the interstellar medium (ISM); for example H-2, He, and H. The OCS molecule has been widely observed in the ISM. However, the collision data available for this species were calculated using a potential energy surface (PES) that shows differences with surfaces presented recently.Aims. The main goal of this work is to report a new set of rate coefficients for the collision of OCS with He based on a new PES computed at a high level of theory.Methods. We developed an analytical PES using a large set of ab initio energies calculated using the coupled cluster with single, double, and perturbative triple excitations (CCSD(T)) method at the completed basis set limit for the OCS+He complex. We used this surface in close-coupling calculations, and computed a new set of collisional rate coefficients for OCS and He.Results. We compare the de-excitation rate coefficients with previously available data. Furthermore, we observe a |Delta j| = 1 propensity rule. Finally, we report a set of rate coefficients for the lower 39 rotational states of OCS, which is the largest set determined to date for this collision.

Revista



Revista ISSN
Astronomy & Astrophysics 0004-6361

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Disciplinas de Investigación



WOS
Astronomy & Astrophysics
Scopus
Sin Disciplinas
SciELO
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Publicaciones WoS (Ediciones: ISSHP, ISTP, AHCI, SSCI, SCI), Scopus, SciELO Chile.

Colaboración Institucional



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Autores - Afiliación



Ord. Autor Género Institución - País
1 Denis-Alpizar, Otoniel - Universidad Autónoma de Chile - Chile
2 Guerra, Cristian - Universidad Autónoma de Chile - Chile
3 ZARATE-BONILLA, XIMENA Mujer Universidad Autónoma de Chile - Chile

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Financiamiento



Fuente
supercomputing infrastructure of the NLHPC
project Anid/Conicyt/Fondecyt Regular
Project Anid/Fondo 2021 ALMA

Muestra la fuente de financiamiento declarada en la publicación.

Agradecimientos



Agradecimiento
Support of projects Anid/Fondo 2021 ALMA/ASTRO21-0042 and Anid/Conicyt/Fondecyt Regular/No. 1200732 is gratefully acknowledged. This research was partially supported by the supercomputing infrastructure of the NLHPC (ECM-02).
Support of projects Anid/Fondo 2021 ALMA/ASTRO21-0042 and Anid/Conicyt/Fondecyt Regular/No. 1200732 is gratefully acknowledged. This research was partially supported by the supercomputing infrastructure of the NLHPC (ECM-02).

Muestra la fuente de financiamiento declarada en la publicación.