Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
96 (1992), S. 1919-1930
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
The time-dependent relaxation of zero-order O–H vibrational overtone states of nonrotating HO2 on the X 2A‘ double many-body expansion (DMBE)-I potential surface is examined. The time dependence of these states is obtained by expanding them in a large basis of all the bound molecular eigenstates as well as L2 states above dissociation. Franck–Condon factors and survival probabilities are calculated and used to determine the relaxation time scales using techniques described by Heller [E. J. Heller, Phys. Rev. A 35, 1360 (1987)]. For low overtones, the relaxation is very slow and is due mainly to isomerization. Higher O–H overtones relax much more rapidly due to dephasing and intramolecular vibrational relaxation (IVR). The time dependence of several wave packets is depicted in coordinate space.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.462093
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