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Collisional excitation rate coefficients play an important role in the dynamics of energy transfer in the interstellar medium. In particular, accurate rotational excitation rates are needed to interpret microwave and infrared observations…

Solar and Stellar Astrophysics · Physics 2015-06-10 Benhui Yang , K. M. Walker , R. C. Forrey , P. C. Stancil , N. Balakrishnan

Modeling environments that are not in local thermal equilibrium, such as protoplanetary disks or planetary atmospheres, with molecular spectroscopic data from space telescopes requires knowledge of the rate coefficients of rovibrationally…

Atomic Physics · Physics 2023-10-10 Taha Selim , Ad van der Avoird , Gerrit C. Groenenboom

Our knowledge about the "cold" Universe often relies on molecular spectra. A general property of such spectra is that the energy level populations are rarely at local thermodynamic equilibrium. Solving the radiative transfer thus requires…

Instrumentation and Methods for Astrophysics · Physics 2018-01-23 Jérôme Loreau , François Lique , Alexandre Faure

OH is a cornerstone molecule in the chemistry of interstellar and circumstellar media and is ubiquitously detected in warm gas thanks to its infrared rotational lines. However, the excitation processes of OH remain poorly characterized. We…

Collisional (de-)excitation of H$_{2}$ by helium plays an important role in the thermal balance and chemistry of various astrophysical environments, making accurate rate coefficients essential for the interpretation of observations of the…

Astrophysics of Galaxies · Physics 2024-05-15 Hubert Jóźwiak , Franck Thibault , Alexandra Viel , Piotr Wcisło , François Lique

Modeling of molecular emission from interstellar clouds requires the calculation of rates for excitation by collisions with the most abundant species. The present paper focuses on the calculation of rate coefficients for rotational…

Astrophysics of Galaxies · Physics 2015-05-18 E. Sarrasin , D. Ben Abdallah , M. Wernli , A. Faure , J. Cernicharo , F. Lique

We present calculated rate coefficients for ro-vibrational transitions of CO in collisions with H atoms for a gas temperature range of 10 K $\leq T \leq$ 3000 K, based on the recent three-dimensional ab initio H-CO interaction potential of…

Astrophysics of Galaxies · Physics 2015-11-23 L. Song , N. Balakrishnan , K. M. Walker , P. C. Stancil , W. F. Thi , I. Kamp , A. van der Avoird , G. C. Groenenboom

We present quantum mechanical and quasiclassical trajectory calculations of cross sections for rovibrational transitions in ortho- and para-H_2 induced by collisions with He atoms. Cross sections were obtained for kinetic energies between…

Astrophysics · Physics 2007-05-23 N. Balakrishnan , M. Vieira , J. F. Babb , R. C. Forrey , A. Dalgarno , S. Lepp

The interpretation of water line emission from existing observations and future HIFI/Herschel data requires a detailed knowledge of collisional rate coefficients. Among all relevant collisional mechanisms, the rotational (de)excitation of…

Astrophysics · Physics 2009-11-13 A. Faure , N. Crimier , C. Ceccarelli , P. Valiron , L. Wiesenfeld , M. -L. Dubernet

A five-dimensional coupled states (5D-CS) approximation is used to compute cross sections and rate coefficients for CO+H2 collisions. The 5D-CS calculations are benchmarked against accurate six-dimensional close-coupling (6D-CC)…

Instrumentation and Methods for Astrophysics · Physics 2017-01-20 Christina Castro , Kyle Doan , Michael Klemka , Robert C. Forrey , B. H. Yang , Phillip C. Stancil , N. Balakrishnan

Carbon monoxide is a simple molecule present in many astrophysical environments, and collisional excitation rate coefficients due to the dominant collision partners are necessary to accurately predict spectral line intensities and extract…

Astrophysics of Galaxies · Physics 2015-11-17 Kyle M. Walker , L. Song , B. H. Yang , G. C. Groenenboom , A. van der Avoird , N. Balakrishnan , R. C. Forrey , P. C. Stancil

The availability of collisional rate coefficients with H$_2$ is a pre-requisite for interpretation of observations of molecules whose energy levels are populated under non local thermodynamical equilibrium conditions. In the current study,…

Astrophysics of Galaxies · Physics 2015-06-22 F. Daniel , A. Faure , L. Wiesenfeld , E. Roueff , D. C. Lis , P. Hily-Blant

We consider collisional excitation of H$_2$ molecules in C-type shocks propagating in dense molecular clouds. New data on collisional rate coefficients for (de-)excitation of H$_2$ molecule in collisions with H atoms and new H$_2$…

Astrophysics of Galaxies · Physics 2019-09-18 A. V. Nesterenok , D. Bossion , Y. Scribano , F. Lique

We report the derivation of rate coefficients for the rotational (de-)excitation of PO$^+$ induced by collisions with H$_2$. The calculations were performed on a four-dimensional potential energy surface, obtained on top of highly accurate…

Astrophysics of Galaxies · Physics 2023-10-13 F. Tonolo , L. Bizzocchi , V. M. Rivilla , F. Lique , M. Melosso , C. Puzzarini

We report new results from quantum calculations of energy-transfer processes taking place in interstellar environments and involving two newly observed molecular species: C$_5$N$^-$ and C$_7$N$^-$ in collision with He atoms and the p-H$_2$…

We present an experimental study on the rotational inelastic scattering of OH ($X^2\Pi_{3/2}, J=3/2, f$) radicals with He and D$_2$ at collision energies between 100 and 500 cm$^{-1}$ in a crossed beam experiment. The OH radicals are state…

The modelling of emission spectra of molecules seen in interstellar clouds requires the knowledge of collisional rate coefficients. Among the commonly observed species, N$_2$H$^+$ is of particular interest since it was shown to be a good…

Astrophysics of Galaxies · Physics 2015-06-23 François Lique , Fabien Daniel , Laurent Pagani , Nicole Feautrier

Context. In dffuse interstellar clouds the excitation temperature derived from the lowest levels of H$^+_3$ is systematically lower than that derived from H2. The differences may be attributed to the lack of state-specific formation and…

Rotational transitions in molecular hydrogen collisions are computed. The two most recently developed potential energy surfaces for the H2-H2 system are used from the following works: 1) A.I. Boothroyd, P.G. Martin, W.J. Keogh, M.J.…

Chemical Physics · Physics 2009-11-11 Renat A. Sultanov , Dennis Guster

Cross sections for the rotational (de)excitation of CO by ground state para- and ortho-H_2 are obtained using quantum scattering calculations for collision energies between 1 and 520 cm^{-1}. A new CO-H_2 potential energy surface is…

Astrophysics · Physics 2008-11-26 M. Wernli , P. Valiron , A. Faure , L. Wiesenfeld , P. Jankowski , K. Szalewicz
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