Vol. 14, issue 09, article # 13

Sulakshina O. N., Borkov Yu. G., Tyuterev Vl. G. Calculating parameters of the Н2S molecule dipole moment function. // Atmospheric and oceanic optics. 2001. V. 14. No. 09. P. 753-761. PDF
Copy the reference to clipboard

Abstract:

Based on the formalism of effective dipole moment operators, analytical equations have been derived for a twice-transformed dipole moment. Complete equations for the transformed vibrational moments of the transitions with delta V less than or equal to 3 have been obtained in terms of molecular parameters. A set of linear equations describing the evaluation of the dipole moment function derivatives has been derived. Based on the experimental data on the transition moment operators, derivatives up to the third order have been calculated for the H2S molecule. The proposed scheme for estimation of the derivatives can be used for all types of molecules. It provides for explanation of the discrepancy between the calculated first derivatives of the dipole moment function and the ab initio results for the H2S molecule.