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| 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
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.
| Ord. | Autor | Género | Institución - País |
|---|---|---|---|
| 1 | Denis-Alpizar, Otoniel | - |
Universidad Autónoma de Chile - Chile
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| 2 | Guerra, Cristian | - |
Universidad Autónoma de Chile - Chile
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| 3 | ZARATE-BONILLA, XIMENA | Mujer |
Universidad Autónoma de Chile - Chile
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| Fuente |
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| supercomputing infrastructure of the NLHPC |
| project Anid/Conicyt/Fondecyt Regular |
| Project Anid/Fondo 2021 ALMA |
| Agradecimiento |
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| 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). |