Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
117 (2002), S. 2629-2634
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
The photoelectron spectra of the weakly bound KrO− anion are simulated using a theory which combines the atoms-in-molecule model for molecular electronic wave functions and the Rau–Fano model for photodetachment intensities [J. Chem. Phys. 112, 5852 (2000)]. The nonrelativistic potential energy curves of the anion are obtained from ab initio calculations. The calculated spectra and their temperature variation agree with the experimental data presented in the preceding article. The strong selectivity of the photodetachment process with respect to the symmetry of fine-structure components is rationalized and quantified. © 2002 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.1491411
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