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Effective potential energy surface of HD16O for calculation of highly excited states of nν3 and ν1 + nν3 types

  • Inverse Problems of Atmospheric and Ocean Optics
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Abstract

A new spectroscopically determined potential energy surface (PES) for HD16O is presented, and rotational-vibrational transitions are calculated using it for low rotational quantum numbers J ≤ 4. This surface is constructed by adjusting a high-accuracy PES by fitting to experimental energy levels of nν3 and ν1 + nν3 types. Seven hundred and forty rotational levels with energies up to 25600 cm−1 and J ≤ 8 were used for the refinement. To improve the extrapolation properties of the empirical PES, the fitting was applied to experimental and ab initio energy levels.

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Authors and Affiliations

  1. V.E. Zuev Institute of Atmospheric Optics, Siberian Branch, Russian Academy of Sciences, pl. Akademika Zueva 1, Tomsk, 634055, Russia

    B. A. Voronin, S. S. Voronina & A. V. Kozodoev

  2. Department of Physics and Astronomy, University College London, London, WC1E 6BT, UK

    S. N. Yurchenko & J. Tennyson

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  1. B. A. Voronin
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  2. S. N. Yurchenko
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  3. S. S. Voronina
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  4. A. V. Kozodoev
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  5. J. Tennyson
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Correspondence to B. A. Voronin.

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Voronin, B.A., Yurchenko, S.N., Voronina, S.S. et al. Effective potential energy surface of HD16O for calculation of highly excited states of nν3 and ν1 + nν3 types. Atmos Ocean Opt 28, 133–138 (2015). https://doi.org/10.1134/S1024856015020153

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  • DOI: https://doi.org/10.1134/S1024856015020153

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