Vol. 12, issue 09, article # 8

pdf Bykov A. D., Voronin B. A., Naumenko O. V., Petrova T. M., Sinitsa L. N. Spectroscopic constants of the (011), (200), (120), and (040) states of the HD16O molecule. // Atmospheric and oceanic optics. 1999. V. 12. No. 09. P. 786-791.
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The method of effective Hamiltonian was applied to determine the rotational, centrifugal distortion, and resonance coupling constants for the four vibrational states: (011), (200), (120), and (040) of the HD16O molecule by fitting to the experimental energy levels reported recently by R. Toth [J. Mol. Spectrosc. 186, 276–292 (1997)]. The effective Hamiltonian included all the possible resonances between close energy levels. The Pade—Borel approximations were used to take into account the strong centrifugal distortion effect. The fit of 62 spectroscopic constants has shown good agreement with the experimental energy levels (the rms deviation of 0.0030 cm-1 for the total of 407 energy levels). The set of spectroscopic constants obtained allows one to calculate the synthetic spectrum with the accuracy close to the experimental one.