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| DOI | 10.1093/MNRAS/STAC1643 | ||||
| Año | 2022 | ||||
| Tipo | artículo de investigación |
Citas Totales
Autores Afiliación Chile
Instituciones Chile
% Participación
Internacional
Autores
Afiliación Extranjera
Instituciones
Extranjeras
Vibrationally excited levels of the H2O molecule are currently detected in various environments of the interstellar medium (ISM), and collisional data for H2O, including vibration with the main colliders of the ISM, are needed. The present study focuses on the bending relaxation of H2O by collision with H when taking bending-rotation coupling explicitly into account with the rigid-bender close-coupling (RB-CC) method. With this aim, a new four-dimensional potential energy surface including the H2O bending mode is developed from a large grid of ab initio energies computed using a high level of theory. For purely rotational transitions, our RB-CC rates show very good agreement with rigid-rotor calculations performed using our new potential energy surface (PES) and with those available in the literature. Calculations for pure rotational transitions inside the excited bending level ν2 = 1 of H2O are performed and compared with their equivalents inside ν2 = 0. Vibrational quenching of H2O is also calculated and found to be much more efficient through collision with H rather than with He.
| Ord. | Autor | Género | Institución - País |
|---|---|---|---|
| 1 | CABRERA-GONZALEZ, LISAN DAVID | Mujer |
Universidad Nacional Andrés Bello - Chile
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| 2 | Denis-Alpizar, Otoniel | - |
Universidad Autónoma de Chile - Chile
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| 3 | Paez-Hernandez, Dayan | - |
Universidad Nacional Andrés Bello - Chile
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| 4 | Stoecklin, T. | Hombre |
Université de Bordeaux - Francia
Univ Bordeaux - Francia |
| Fuente |
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| ECOS-SUD-CONICYT |
| ANID BECAS/Doctorado Nacional |
| French Agence Nationale de la Recherche (ANR-Waterstars) |
| Agradecimiento |
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| This work was supported by the French Agence Nationale de la Recherche (ANR-Waterstars), Contract No. ANR-20-CE31-0011. We acknowledge support from ECOS-SUD-CONICYT project number C17E06 (Programa de Cooperacion Cientifica ECOS-CONICYT ECOS170039). LDCH is also thankful for support from ANID BECAS/DOCTORADO NACIONAL 21210379. Computer time for this study was provided by the Mesocentre de Calcul Intensif Aquitain, which is the computing facility of Universite de Bordeaux et Universite de Pau et des Pays de l'Adour. |