Abstract

Line lists are presented for six deuterated isotopologues of water vapor namely HD16O, HD17O, HD18O, D216O, D217O and D218O. These line lists are prepared using empirically-determined energy levels, where available, to provide transition frequencies and high-quality ab initio dipole moment surfaces to provide transition intensities. The reliability of the predicted intensities is tested by computing multiple line lists and analyzing the stability of the results. The resulting intensities are expected to be accurate to a few percent for well-behaved, stable transitions. Complete T=296 K line lists are provided for each species.

Keywords

IsotopologueDeuteriumLine (geometry)DipoleMoment (physics)Reliability (semiconductor)Ab initioMaterials scienceChemistryPhysicsAtomic physicsThermodynamicsMathematicsMolecule

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Publication Info

Year
2017
Type
article
Volume
203
Pages
175-185
Citations
45
Access
Closed

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Aleksandra A. Kyuberis, Н. Ф. Зобов, O. V. Naumenko et al. (2017). Room temperature line lists for deuterated water. Journal of Quantitative Spectroscopy and Radiative Transfer , 203 , 175-185. https://doi.org/10.1016/j.jqsrt.2017.06.026

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DOI
10.1016/j.jqsrt.2017.06.026