Mutual Vibrational Quenching in CO + H2 Collisions

Authors

Robert C. Forrey, Penn State University
B. H. Yang, University of GeorgiaFollow
P. C. Stancil, University of GeorgiaFollow
Naduvalath Balakrishnan, University of Nevada, Las VegasFollow

Document Type

Article

Publication Date

11-25-2015

Publication Title

Chemical Physics

Volume

462

Issue

1

First page number:

71

Last page number:

78

Abstract

Vibrational quenching of CO and H2 is studied quantum mechanically for collisions where both molecules are vibrationally excited. A five-dimensional (5D) coupled states (CS) approximation is used to formulate the dynamics. The approximation is tested against six-dimensional (6D) results for CO + H2 with single vibrational excitation using both the CS approximation and the full close-coupling (CC) method. The 5D approximation is shown to provide a practical and reliable numerical approach for obtaining state-to-state cross sections in the computationally challenging case of mutual rovibrational de-excitation. State-resolved and partially-summed cross sections are presented for this astrophysically important collision system over a wide range of energies, and prospects for developing a database of rovibrational quenching rate coefficients are discussed.

Keywords

Molecular data; Inelastic processes; Quantum dynamics

Repository Citation

Forrey, R. C., Yang, B. H., Stancil, P. C., Balakrishnan, N. (2015). Mutual Vibrational Quenching in CO + H2 Collisions. Chemical Physics, 462(1), 71-78.
http://dx.doi.org/10.1016/j.chemphys.2015.07.001