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The VoTe Room Temperature H216O Line List up to 25 000 cm–1

  • SPECTROSCOPY AND PHYSICS OF ATOMS AND MOLECULES
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Abstract

A new line list transition for the water molecule is presented. The line lists is created on the basis of VoTe calculations using cutoff values of 25 000 cm–1 in transition wavenumber and J max = 50. Calculations use the high accuracy, empirical potential energy surface (PES) of Bubukina et al. LTP2011 and the CVR water dipole moment surface (DMS) of Lodi et al. (2011). Vibration–rotation energy levels up to J = 50 are computed using DVR3D; a novel method of labeling is used which allows more thorough labelling of the energy levels with approximate vibrational and rotational quantum numbers than previous water line lists.

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ACKNOWLEDGMENTS

The authors thank A.D. Bykov, O.V. Naumenko, S.N. Yurchenko, S.S. Voronina, and S.N. Mikhailenko. We would like to express special thanks to S.A. Tashkun for providing the calculated energy levels and their identification of H216O from his 2008 calculation.

Funding

This work was carried out as part of the State Assignment of the IOA SB RAS No. AAAA-A17-117021310150-0, and with the support of the Russian Federal Property Fund (grant no. 19-03-00389). Part of the work on the self-broadening of lines was supported by a grant from the Russian Foundation for Basic Research (no. 17-52-16022).

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Correspondence to B. A. Voronin or J. Tennyson.

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Voronin, B.A., Tennyson, J., Lodi, L. et al. The VoTe Room Temperature H216O Line List up to 25 000 cm–1. Opt. Spectrosc. 127, 967–973 (2019). https://doi.org/10.1134/S0030400X19120397

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  • DOI: https://doi.org/10.1134/S0030400X19120397

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