The quasi-classical trajectory method is used in conjunction with a globally determined ab initio surface to study translational to vibrational excitation in collisions of hot H atoms with CO. Good agreement with experiment is obtained. Sensitivity of the results to features of the surface is analyzed.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Condensed Matter Physics
- Atomic and Molecular Physics, and Optics
- Surfaces and Interfaces