Vibration-rotation excitation of CO by hot hydrogen atoms: Comparison of two potential energy surfaces

Abstract

Collision cross sections for rotational and vibrational excitation of CO by fast H atoms are calculated for two potential energy surfaces, the older Bowman-Bitman-Harding potential and the recently constructed surface of Werner, Keller, and Schinke. Both quantum mechanical and classical calculations are performed. The results obtained with the new potential energy surface are very similar to those obtained with the older potential; in particular, they do not rectify the discrepancies between the experimental and theoretical cross sections for vibrationally elastic transitions into small rotational states of CO. © 1996 American Institute of Physics.