HD-H+ collisions: new statistical and quantum state-to-state studies
| Autor: | Benjamin Desrousseaux, Jérôme Loreau, Maarten Konings, François Lique |
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| Přispěvatelé: | Institut de Physique de Rennes (IPR), Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Centre National de la Recherche Scientifique (CNRS), Catholic University of Leuven - Katholieke Universiteit Leuven (KU Leuven), This project has received funding from the European Research Council (ERC) under the European Unions Horizon 2020 research and innovation programme (Grant agreement no. 811363). We acknowledge the Programme National Physique et Chimie du Milieu Interstellaire (PCMI) of CNRS/INSU with INC/INP co-funded by CEA and CNES. F. L. acknowledges financial support from the Institut Universitaire de France. J. L. acknowledges support from Internal Funds KU Leuven through grant STG-19-00313. This work was granted access to the Occigen HPC resources of CINES under the allocation 2019 [A0070411036] made by GENCI., Université de Rennes (UR)-Centre National de la Recherche Scientifique (CNRS) |
| Jazyk: | angličtina |
| Rok vydání: | 2021 |
| Předmět: |
Physics
[PHYS]Physics [physics] 010304 chemical physics Scattering Quantum dynamics media_common.quotation_subject General Physics and Astronomy State (functional analysis) 01 natural sciences Universe Computational physics 13. Climate action Quantum state 0103 physical sciences Radiative transfer Atomic and molecular collisions Physical and Theoretical Chemistry Molecular physics 010303 astronomy & astrophysics Quantum Excitation media_common |
| Zdroj: | Physical Chemistry Chemical Physics Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2021, 23, pp.19202-19208. ⟨10.1039/D1CP02564C⟩ Physical Chemistry Chemical Physics, 2021, 23, pp.19202-19208. ⟨10.1039/D1CP02564C⟩ |
| ISSN: | 1463-9076 1463-9084 |
| Popis: | International audience; In the early Universe, the cooling mechanisms of the gas significantly rely on the HD abundance and excitation conditions. A proper modeling of its formation and destruction paths as well as its excitation by both radiative and collisional processes is then required to accurately describe the cooling mechanisms of the pristine gas. In such media, ion–molecule reactions are dominant. Their theoretical study is challenging and state-of-the-art quantum time-independent methods are computationally limited to collisions involving light molecules. Here, we report a state-to-state scattering study of the HD–H+ collisional system using two different methods: an exact quantum time-independent approach and a recently developed fast and efficient statistical method. Reactive and inelastic rate coefficients were obtained for temperatures up to 300 K. The statistical method is able to reproduce exact calculations with an accuracy reaching the astrophysical needs while drastically reducing the computational resources requirements. Such results suggest that this new statistical method should be considered to provide the astrophysical community collisional data for which quantum calculations are impossible. |
| Databáze: | OpenAIRE |
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