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

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.