Theoretical studies are reported of vibrationally resolved (50-r) b311 (v = 0,l) and (5~~') A'JI (v = 0,l) resonant partial photoionization cross sections in nitric oxide. Calculations in vibrationally averaged, R-centroid, and Franck-Condon static-exchange approximations clarify the origins of mult
A theoretical study of the (2+1) photoionization of nitric oxide
โ Scribed by Pietro Cremaschi
- Publisher
- Elsevier Science
- Year
- 1981
- Tongue
- English
- Weight
- 438 KB
- Volume
- 83
- Category
- Article
- ISSN
- 0009-2614
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โฆ Synopsis
The theoreticaJ spectrum of the sequential (2 + 1) photolomzauon of nitric onde has been aaluated altb ab tin0 WICUhtlons The charxtenstm of hlP1 mtennues, the ~mpot-tance of the tomzation step wtb respect to the total cross se&on -md possrble effects of prednsocmtion are analyzed.
๐ SIMILAR VOLUMES
Potential-energy curves, transition-moment functions, Einstein A coefficients, and radiative lifetimes associated with the D 2Z+ Rydberg state of nitric oxide are calculated in large Gaussian basis sets employing internally contracted multireference configuration interaction from stat&averaged compl
## Slultipletrpecitic calculations in static-eschange approximation are reported of (50')b 3fl and (56')A tll partialchnnnel photoionization cross sections in nitric aside. The calculated cross sections exhibit resonance peaks at significantly different kinetic energies in the two multiplet channe
The dependence of X-ray photoionization spectra on structural characteristics is assessed by one-particle Green's function calculations on the nearly isomeric adamantane, 1P-dimethyl bicyclo [ 2,2,2] octane and 1,1,4,4-tetramethyl cyclohexane compounds. These calculations are carried out using the q