An atom-atom interaction potential for the H2O–A system is proposed in a form that depends on the normal coordinates q of an H2O molecule. Vibrational and rotational corrections to the effective potential for H2O–He and H2O–Ar systems are calculated and their impact on the calculated broadening coefficients γ is analysed for the absorption lines of different vibrational H2O bands in the case of broadening by helium and argon. It is shown that excitation of the stretching modes of vibrations in the H2O molecule leads to an increase in the calculated broadening coefficients γ. Accounting for rotational corrections, γ increases by 15% for the lines with rotational quantum number K a = 9 for the lower transition state in the case of broadening by He and by 4% when broadening by Ar.
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V. I. Starikov, T. M. Petrova, A. M. Solodov, and A. A. Solodov, “Effective potentials for H2O–He and H2O–Ar systems. Isotropic induction—dispersion potentials,” Eur. Phys. J., D 71 (5) (2017). doi 10.1140/epjd/e2017-70685-9
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Original Russian Text © V.I. Starikov, T.M. Petrova, A.M. Solodov, A.A. Solodov, V.M. Deichuli, 2017, published in Optika Atmosfery i Okeana.
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Starikov, V.I., Petrova, T.M., Solodov, A.M. et al. Effective Atom-Atom Potentials for H2O–He and H2O–Ar Systems. Atmos Ocean Opt 31, 137–145 (2018). https://doi.org/10.1134/S1024856018020148
- atom-atom potential
- collisional broadening