Room temperature line lists for deuterated water. (December 2017)

• Record Type: Journal Article
• Authors: Kyuberis, Aleksandra A.; Zobov, Nikolay F.; Naumenko, Olga V.; Voronin, Boris A.; Polyansky, Oleg L.; Lodi, Lorenzo; Liu, Anwen; Hu, Shui-Ming; Tennyson, Jonathan
• Is Part Of: Journal of quantitative spectroscopy & radiative transfer. Volume 203(2017)
• Page Start: 175
• Page End: 185
• Publication Date: 2017-12
• Subjects: Spectrum analysis -- Periodicals; Radiation -- Periodicals; Analyse spectrale -- Périodiques; Rayonnement -- Périodiques; Radiation; Spectrum analysis; Periodicals; 543.0858
• DOI: 10.1016/j.jqsrt.2017.06.026
• Languages: English
• ISSNs: 0022-4073

Abstract

Abstract: Line lists are presented for six deuterated isotopologues of water vapor namely HD 16 O, HD 17 O, HD 18 O, D 2 16 O, D 2 17 O and D 2 18 O. 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. Highlights: 6 new line lists for all deuterated isotopologues of water. Line lists use ab initio intensities and empirical frequencies, where available. Comprehensive coverage suitable for use in databases.