Application of variational technique to relaxation parameters calculation of highly vibrationally excited CO molecule

A. D. Bykov; V. N. Stroinova; E. L. Smekalina

doi:10.1117/12.783037

14 February 2008 Application of variational technique to relaxation parameters calculation of highly vibrationally excited CO molecule

A. D. Bykov, V. N. Stroinova, E. L. Smekalina

Author Affiliations +

Proceedings Volume 6936, Fourteenth International Symposium on Atmospheric and Ocean Optics/Atmospheric Physics; 693604 (2008) https://doi.org/10.1117/12.783037
Event: Fourteenth International Symposium on Atmospheric and Ocean Optics/Atmospheric Physics, 2007, Buryatia, Russian Federation

Abstract

The model allowed one to calculate the relaxation parameters of highly vibrationally excited diatomic molecules up to dissociation limit is presented. Our model includes the variational technique to compute the wave functions and energy levels and dipole, quadrupole moments, polarizability functions calculated ab initio and/or semiempirically. This paper is dedicated to the calculation of halfwidths and line centre shifts of highly vibrationally excited CO molecule up to the dissociation limit. Semiclassical impact theory is used for calculations. Dipole-dipole, dipole-quadrupole, quadrupole-quadrupole and polarization interactions are taken into account. The necessary matrix elements of dipole, quadrupole moments, polarizability are computed using the variational wave functions. The transition frequencies are calculated using variational technique too. Halfwidths and line centre shifts calculational results are presented as the rotational and vibrational dependences of CO-CO relaxation parameters for the vibrational state v=30.

Citation Download Citation

A. D. Bykov, V. N. Stroinova, and E. L. Smekalina "Application of variational technique to relaxation parameters calculation of highly vibrationally excited CO molecule", Proc. SPIE 6936, Fourteenth International Symposium on Atmospheric and Ocean Optics/Atmospheric Physics, 693604 (14 February 2008); https://doi.org/10.1117/12.783037

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