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Title:Ch4, C2h4, Sf6 And Cf4 Calculated Spectroscopic Databases For The Virtual Atomic And Molecular Data Centre
Author(s):Boudon, Vincent
Contributor(s):Dubernet, Marie-Lise; Ba, Yaye Awa; Tyuterev, Vladimir; Bonhommeau, David A.; Daumont, Ludovic; Rotger, Maud; Faye, Mbaye; Louviot, Maud; Surleau, Romain; Wenger, Christian
Subject(s):Linelists, Lineshapes, Collisions
Abstract:Two spectroscopic relational databases, denoted MeCaSDa and ECaSDa, have been implemented for methane and ethene, and included in VAMDC (Virtual Atomic and Molecular Data Centre,\_portal/home.seam) [1]. These data\-bases collect calculated spectroscopic data from the accurate analyses previously performed for the electronic ground state of methane, ethene, and some of their isotopologues: $^{12}$CH$_4$, $^{13}$CH$_4$, and $^{12}$C$_2$H$_4$ [2]. Both infrared absorption and Raman scattering lines are included. The polyad structures are reported and the transitions are precisely described by their energy, their intensity and the full description of the lower and upper states involved in the transitions. Very recently, we also built on the same model two new databases, named SHeCaSDa and TFMeCaSDa for the SF$_6$ and CF$_4$ greenhouse gas molecules, respectively. The relational schemas of these four databases are equivalent and optimized to enable the better compromise between data retrieval and compatibility with the XSAMS (XML Schema for Atoms, Molecules, and Solids) format adopted within the VAMDC European project. ~ {\footnotesize[1] Y. A. Ba, Ch. Wenger {\em et al.\/}, {\em J. Quant. Spectrosc. Radiat. Transfer\/}, {\bf 130}, 62 (2013).\newline [2] M.-L. Dubernet, V. Boudon {\em et al.\/}, {\em J. Quant. Spectrosc. Radiat. Transfer\/}, {\bf 111}, 2151 (2010).}
Issue Date:2014-06-16
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:Boudon, V.; Dubernet, M.; Ba, Y.A.; Tyuterev, V.; Bonhommeau, D.A.; Daumont, L.; Rotger, M.; Faye, M.; Louviot, M.; Surleau, R.; Wenger, C. CH4, C2H4, SF6 AND CF4 CALCULATED SPECTROSCOPIC DATABASES FOR THE VIRTUAL ATOMIC AND MOLECULAR DATA CENTRE. Proceedings of the International Symposium on Molecular Spectroscopy, Urbana, IL, June 16-21, 2014. DOI: 10.15278/isms.2014.MK03
Rights Information:Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License.
Date Available in IDEALS:2014-09-17

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