Cy. Yang et Sk. Gray, THE EFFECT OF ANGULAR-MOMENTUM ON THE UNIMOLECULAR DISSOCIATION HCO-]H+CO, The Journal of chemical physics, 107(19), 1997, pp. 7773-7786
Full dimensional wave packet calculations are performed to model the u
nimolecular dissociation HCO --> H + CO on its ground electronic state
. Results of calculations up to total (nuclear) angular momentum J = 1
0 are reported. Most of our results are based on the recent potential
surface of Werner, Keller, Schinke, and co-workers, although some comp
arative results with the earlier surface of Bowman, Bittman, and Hardi
ng are also presented. We focus on certain unimolecular resonances, an
d determine their positions, widths, and associated CO product distrib
utions. We find good agreement with the available experimental results
of Neyer et al. We also consider how rotation affects a group of stat
es associated with the 2:1 stretch/bend resonance. Bowman's adiabatic
rotation model is found to provide a reasonable description of our res
ults, and is also a useful tool for analysis. (C) 1997 American Instit
ute of Physics.