Halfwidths and lineshifts caused by transitions into highly excited vibrational states of CO molecule

摘要

The paper is aimed at the creation of the model allowing one to calculate the relaxation parameters caused by the transitions into highly excited vibrational states of CO molecule. Halfwidth and lineshift calculations are made in the framework of semiclassical impact theory. Intermolecular potential includes dipole-dipole, dipole-quadrupole, quadrupole-quadrupole and isotropic part of polarization interactions. The feature of this model is the development of traditional calculations into the highly lying vibrational states of CO molecule. To make this the necessary matrix elements of dipole, quadrupole moments, polarizability are numerically defined using semiempirical and ab initio functions. Intramolecular potential function was defined as Morse potential fitted to ab initio energy data.