Classical trajectory calculations were carried out on the system in which I2 in the 3II3. Excited electronic state and certain specific vibrational and rotational levels interact with the inert gases as collision partners. The trajectory results duplicated the effective cross sections for vibrational and rotational energy transfer into specific channels, as well as the mass dependence of the total cross sections for vibrational and rotational energy transfer when a correction was made for quenching. A semiclassical model provided less accurate values for the vibrational deactivation probabilities, but at a considerable saving of computation time.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry