Cross Sections and Rate Coefficients for Vibrational Excitation of H<sub>2</sub>O by Electron Impact
Cross-sections and thermally averaged rate coefficients for vibration (de-)excitation of a water molecule by electron impact are computed; one and two quanta excitations are considered for all three normal modes. The calculations use a theoretical approach that combines the normal mode approximation...
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| Format: | Article |
| Language: | English |
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MDPI AG
2021-09-01
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| Series: | Atoms |
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| Online Access: | https://www.mdpi.com/2218-2004/9/3/62 |
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| author | Mehdi Ayouz Alexandre Faure Jonathan Tennyson Maria Tudorovskaya Viatcheslav Kokoouline |
| author_facet | Mehdi Ayouz Alexandre Faure Jonathan Tennyson Maria Tudorovskaya Viatcheslav Kokoouline |
| author_sort | Mehdi Ayouz |
| collection | DOAJ |
| description | Cross-sections and thermally averaged rate coefficients for vibration (de-)excitation of a water molecule by electron impact are computed; one and two quanta excitations are considered for all three normal modes. The calculations use a theoretical approach that combines the normal mode approximation for vibrational states of water, a vibrational frame transformation employed to evaluate the scattering matrix for vibrational transitions and the UK molecular R-matrix code. The interval of applicability of the rate coefficients is from 10 to 10,000 K. A comprehensive set of calculations is performed to assess uncertainty of the obtained data. The results should help in modelling non-LTE spectra of water in various astrophysical environments. |
| first_indexed | 2024-03-10T07:53:47Z |
| format | Article |
| id | doaj.art-02f9d1cf21cd417183cb02553b9e0893 |
| institution | Directory Open Access Journal |
| issn | 2218-2004 |
| language | English |
| last_indexed | 2024-03-10T07:53:47Z |
| publishDate | 2021-09-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Atoms |
| spelling | doaj.art-02f9d1cf21cd417183cb02553b9e08932023-11-22T12:01:35ZengMDPI AGAtoms2218-20042021-09-01936210.3390/atoms9030062Cross Sections and Rate Coefficients for Vibrational Excitation of H<sub>2</sub>O by Electron ImpactMehdi Ayouz0Alexandre Faure1Jonathan Tennyson2Maria Tudorovskaya3Viatcheslav Kokoouline4LGPM, CentraleSupélec, Université Paris-Saclay, 8-10 rue Joliot-Curie, F-91190 Gif-sur-Yvette, FranceIPAG, CNRS, Université Grenoble Alpes, F-38000 Grenoble, FranceDepartment of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, UKQuantemol Ltd., 320 City Rd., The Angel, London EC1V 2NZ, UKDepartment of Physics, University of Central Florida, Orlando, FL 32816, USACross-sections and thermally averaged rate coefficients for vibration (de-)excitation of a water molecule by electron impact are computed; one and two quanta excitations are considered for all three normal modes. The calculations use a theoretical approach that combines the normal mode approximation for vibrational states of water, a vibrational frame transformation employed to evaluate the scattering matrix for vibrational transitions and the UK molecular R-matrix code. The interval of applicability of the rate coefficients is from 10 to 10,000 K. A comprehensive set of calculations is performed to assess uncertainty of the obtained data. The results should help in modelling non-LTE spectra of water in various astrophysical environments.https://www.mdpi.com/2218-2004/9/3/62watervibrational excitationR-matrixelectron-molecule collisionsinterstellar medium |
| spellingShingle | Mehdi Ayouz Alexandre Faure Jonathan Tennyson Maria Tudorovskaya Viatcheslav Kokoouline Cross Sections and Rate Coefficients for Vibrational Excitation of H<sub>2</sub>O by Electron Impact Atoms water vibrational excitation R-matrix electron-molecule collisions interstellar medium |
| title | Cross Sections and Rate Coefficients for Vibrational Excitation of H<sub>2</sub>O by Electron Impact |
| title_full | Cross Sections and Rate Coefficients for Vibrational Excitation of H<sub>2</sub>O by Electron Impact |
| title_fullStr | Cross Sections and Rate Coefficients for Vibrational Excitation of H<sub>2</sub>O by Electron Impact |
| title_full_unstemmed | Cross Sections and Rate Coefficients for Vibrational Excitation of H<sub>2</sub>O by Electron Impact |
| title_short | Cross Sections and Rate Coefficients for Vibrational Excitation of H<sub>2</sub>O by Electron Impact |
| title_sort | cross sections and rate coefficients for vibrational excitation of h sub 2 sub o by electron impact |
| topic | water vibrational excitation R-matrix electron-molecule collisions interstellar medium |
| url | https://www.mdpi.com/2218-2004/9/3/62 |
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