Vol. 21, issue 12, article # 13

Lavrentieva N. N., Mishina T. P., Sinitsa L. N., Tennyson J. Calculations of self-broadening and self-shift of water vapor spectral lines with the use of accurate vibration-rotation wave functions. // Atmospheric and oceanic optics. 2008. V. 21. No. 12. P. 957-961.    PDF
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Self-broadening and self-shift coefficients of vibration-rotation lines of water molecules are calculated using a semi-empirical method. The method is based on the impact theory of broadening, modified through including additional parameters, obtained by involving empirical data. Model parameters are determined by fitting the broadening and shift coefficients to experimental data. The calculations are made using anharmonic wavefunctions, determined by the variational method. This approach takes into account contributions of all scattering channels, induced by collisions of molecules. The calculation results well agree with experimental data.


spectral line contour, line broadening and shift, intermolecular interactions