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The HITRAN2016 Molecular Spectroscopic Database The HITRAN2016 molecular spectroscopic database Article Published Version Creative Commons: Attribution 4.0 (CC-BY) Open Access Gordon, I. E., Rothman, L. S., Hill, C., Kochanov, R. V., Tan, Y., Bernath, P. F., Birk, M., Boudon, V., Campargue, A., Chance, K. V., Drouin, B. J., Flaud, J.- M., Gamache, R. R., Hodges, J. T., Jacquemart, D., Perevalov, V. I., Perrin, A., Shine, K., Smith, M.-A. H., Tennyson, J., Toon, G. C., Tran, H., Tyuterev, V. G., Barbe, A., Császár, A. G., Devi, V. M., Furtenbacher, T., Harrison, J. J., Hartmann, J.- M., Jolly, A., Johnson, T. J., Karman, T., Kleiner, I., Kyuberis, A. A., Loos, J., Lyulin, O. M., Massie, S. T., Mikhailenko, S. N., Moazzen- Ahmadi, N., Müller, H. S. P., Naumenko, O. V., Nikitin, A. V., Polyansky, O. L., Rey, M., Rotger, M., Sharpe, S. W., Sung, K., Starikova, E., Tashkun, S. A., Auwera, J. V., Wagner, G., Wilzewski, J., Wcisł o, P., Yu, S. and Zak, E. J. (2017) The HITRAN2016 molecular spectroscopic database. Journal of Quantitative Spectroscopy & Radiative Transfer, 203. pp. 3- 69. ISSN 00224073 doi: https://doi.org/10.1016/j.jqsrt.2017.06.038 Available at http://centaur.reading.ac.uk/71849/ It is advisable to refer to the publisher’s version if you intend to cite from the work. See Guidance on citing . Published version at: http://dx.doi.org/10.1016/j.jqsrt.2017.06.038 To link to this article DOI: http://dx.doi.org/10.1016/j.jqsrt.2017.06.038 Publisher: Elsevier Ltd. All outputs in CentAUR are protected by Intellectual Property Rights law, including copyright law. Copyright and IPR is retained by the creators or other copyright holders. Terms and conditions for use of this material are defined in the End User Agreement . www.reading.ac.uk/centaur CentAUR Central Archive at the University of Reading Reading’s research outputs online Journal of Quantitative Spectroscopy & Radiative Transfer 203 (2017) 3–69 Contents lists available at ScienceDirect Journal of Quantitative Spectroscopy & Radiative Transfer journal homepage: www.elsevier.com/locate/jqsrt The HITRAN2016 molecular spectroscopic database I.E. Gordon a,*, L.S. Rothman a, C. Hill a,b, R.V. Kochanov a,c,Y.Tana, P.F. Bernath d, M. Birk e, V. Boudon f, A. Campargue g, K.V. Chance a, B.J. Drouin h, J.-M. Flaud i, R.R. Gamache j, J.T. Hodges k, D. Jacquemart l, V.I. Perevalov m, A. Perrin n, K.P. Shine o, M.-A.H. Smith p, J. Tennyson b, G.C. Toon h, H. Tran n, V.G. Tyuterev q, A. Barbe q, A.G. Császár r,rr, V.M. Devi s, T. Furtenbacher r, J.J. Harrison t,tt,ttt, J.-M. Hartmann n, A. Jolly i, T.J. Johnson u, T. Karman a,v, I. Kleiner i, A.A. Kyuberis a,w, J. Loos e, O.M. Lyulin m, S.T. Massie x, S.N. Mikhailenko m, N. Moazzen-Ahmadi y, H.S.P. Müller z, O.V. Naumenko m, A.V. Nikitin m, O.L. Polyansky b,w, M. Rey q, M. Rotger q, S.W. Sharpe u, K. Sung h, E. Starikova m, S.A. Tashkun m, J. Vander Auwera aa, G. Wagner e, J. Wilzewski a,e, P. Wcisło bb,S.Yuh, E.J. Zak b a Harvard-Smithsonian Center for Astrophysics, Atomic and Molecular Physics Division, Cambridge, MA, USA b University College London, Dept. of Physics and Astronomy, London WC1E 6BT, UK c Tomsk State University, Laboratory of Quantum Mechanics of Molecules and Radiative Processes, Tomsk, Russia d Old Dominion University, Dept. of Chemistry & Biochemistry, Norfolk, VA, USA e DLR, Institute for Remote Sensing Technology, Wessling, Germany f Université de Bourgogne Franche-Comté, Laboratoire Interdisciplinaire Carnot de Bourgogne, UMR 6303 CNRS, Dijon Cedex, France g Université Grenoble, Grenoble, France h California Institute of Technology, Jet Propulsion Laboratory, Pasadena, CA, USA i Université Paris Est, LISA, Créteil, France j University of Massachusetts, Dept. of Environmental, Earth & Atmospheric Sciences, Lowell, MA, USA k NIST, Chemical Sciences Division, Gaithersburg, MD, USA l Université Pierre et Marie Curie, LADIR, Paris, France m Institute of Atmospheric Optics, Laboratory of Theoretical Spectroscopy, Tomsk, Russia n CNRS, Ecole Polytechnique, Université Paris-Saclay, Laboratoire de Météorologie Dynamique/IPSL, 91128 Palaiseau, France o University of Reading, Dept. of Meteorology, Reading, UK p NASA Langley Research Center, Science Directorate, Hampton, VA, USA q Université de Reims, GSMA, Reims, France r MTA-ELTE Complex Chemical Systems Research Group, Budapest, Hungary s The College of William and Mary, Dept. of Physics, Williamsburg, VA, USA t University of Leicester, Department of Physics and Astronomy, Leicester, UK u Battelle Pacific Northwest National Laboratory, Richland, WA, USA v Radboud University, Institute for Molecules and Materials, Nijmegen, The Netherlands w Institute of Applied Physics of Russian Academy of Sciences, Nizhny Novgorod, Russia x University of Colorado, Laboratory for Atmospheric and Space Physics, Boulder, CO, USA y The University of Calgary, Dept. of Physics and Astronomy, Calgary, AB, Canada z University of Cologne, I. Physikalisches Institut, Cologne, Germany aa Université Libre de Bruxelles, Service de Chimie Quantique et Photophysique, C.P. 160/09, B-1050 Brussels, Belgium bb Nicolaus Copernicus University, Institute of Physics, Torun, Poland tt University of Leicester, National Centre for Earth Observation, Leicester, UK ttt University of Leicester, Leicester Institute for Space and Earth Observation, Leicester, UK rr Eötvös Loránd University, Institute of Chemistry, Budapest, Hungary * Corresponding author. E-mail address: [email protected] (I.E. Gordon). http://dx.doi.org/10.1016/j.jqsrt.2017.06.038 0022-4073/Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/). 4 I.E. Gordon et al. / Journal of Quantitative Spectroscopy & Radiative Transfer 203 (2017) 3–69 article info abstract Article history: This paper describes the contents of the 2016 edition of the HITRAN molecular spectroscopic compila- Received 23 February 2017 tion. The new edition replaces the previous HITRAN edition of 2012 and its updates during the inter- Received in revised form vening years. The HITRAN molecular absorption compilation is composed of five major components: the 29 June 2017 traditional line-by-line spectroscopic parameters required for high-resolution radiative-transfer codes, Accepted 29 June 2017 infrared absorption cross-sections for molecules not yet amenable to representation in a line-by-line Available online 5 July 2017 form, collision-induced absorption data, aerosol indices of refraction, and general tables such as partition Keywords: sums that apply globally to the data. The new HITRAN is greatly extended in terms of accuracy, spectral HITRAN coverage, additional absorption phenomena, added line-shape formalisms, and validity. Moreover, mo- Spectroscopic database lecules, isotopologues, and perturbing gases have been added that address the issues of atmospheres Molecular spectroscopy beyond the Earth. Of considerable note, experimental IR cross-sections for almost 300 additional mo- Molecular absorption Spectroscopic line parameters lecules important in different areas of atmospheric science have been added to the database. The Absorption cross-sections compilation can be accessed through www.hitran.org. Most of the HITRAN data have now been cast into Collision-induced absorption an underlying relational database structure that offers many advantages over the long-standing se- Aerosols quential text-based structure. The new structure empowers the user in many ways. It enables the in- corporation of an extended set of fundamental parameters per transition, sophisticated line-shape formalisms, easy user-defined output formats, and very convenient searching, filtering, and plotting of data. A powerful application programming interface making use of structured query language (SQL) features for higher-level applications of HITRAN is also provided. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/). 1. Introduction (molecule cm-2) rather than simplifying to the equivalent cm molecule-1. This article describes the data and software that have been added, modified, or enhanced in the HITRAN (High Resolution 1.1. Overview of parameters (including new ones) Transmission) compilation since the previous edition of 2012 [1] (hereafter called HITRAN2012 in the text). The line-by-line portion The traditional and probably most applied portion of HITRAN is and the absorption cross-sections of the new edition, hereafter the line list of high-resolution spectral parameters. These line-by- called HITRAN2016, have now been cast into an underlying rela- line parameters reflect values of individual transitions between tional database structure as opposed to the long-standing fixed- energy levels of rovibronic states that are required by high-re- length ASCII record format. A user-friendly powerful internet tool, solution radiative-transfer codes. These parameters are shown in HITRANonline (accessible through www.hitran.org), is provided to Tables 1 and 2. Table 1 gives an overview of parameters that are the user to query, filter, and plot sections of the data and to re- traditionally provided in the “.par” format as per HITRAN2004 [3] trieve outputs in a host of convenient formats (see Hill et al. [2]). formalism as well as broadening and shift parameters due to the The HITRAN compilation is composed of several components pressure of H2, He and CO2 (see Wilzewski et al. [4], Hill et al. [2] that include (1) line-by-line spectroscopic parameters for high and Kochanov et al. [5] for details). Table 2 provides information resolution molecular absorption and radiance calculations (from on the parameters required for non-Voigt line-shape representa- the microwave through the ultraviolet region of the spectrum); (2) tions (see Wcisło et al. [6], Hill et al. [2] and Kochanov et al.
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