In:
The Journal of Chemical Physics, AIP Publishing, Vol. 123, No. 9 ( 2005-09-01)
Abstract:
Quantum-mechanical scattering calculations were performed for the rovibrational relaxation of CO in collisions with H atoms using the close-coupling approach for collision energies between 10−6 and 1500cm−1. We adopted the H–CO interaction potential of Werner, Keller, and Schinke and computed the state-to-state and total cross sections for the quenching of the υ=1, j=0–2 levels of CO. Numerous resonances, as a consequence of the van der Waals potential, are observed and the cross sections are found to approach the Wigner limit at low energies. Also, by averaging the cross sections over a Boltzmann distribution of velocities of the incoming atom, quenching rate coefficients are obtained and found to be consistent with previous infinite-order sudden approximation calculations for temperatures between 100 and 300K.
Type of Medium:
Online Resource
ISSN:
0021-9606
,
1089-7690
Language:
English
Publisher:
AIP Publishing
Publication Date:
2005
detail.hit.zdb_id:
3113-6
detail.hit.zdb_id:
1473050-9
Permalink
