Computed lifetimes of metastable states of the NO2+ dication

Based on the ab initio potential energy, spin-orbit coupling, electronic transition dipole moment, and radial nonadiabatic coupling functions, the energy level positions, lifetimes, and radiative transition probabilities (Einstein A coefficients) have been determined for the lowest electronic states...

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Veröffentlicht in:The Journal of chemical physics 2008-04, Vol.128 (14), p.144301-144301
Hauptverfasser: Baková, R, Fiser, J, Sedivcová-Uhlíková, T, Spirko, V
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Sprache:eng
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Zusammenfassung:Based on the ab initio potential energy, spin-orbit coupling, electronic transition dipole moment, and radial nonadiabatic coupling functions, the energy level positions, lifetimes, and radiative transition probabilities (Einstein A coefficients) have been determined for the lowest electronic states of NO2+ using the log-amplitude-phase, stabilization, and complex-scaling methods. The calculated characteristics are in reasonable agreement to the available experimental data, thus, evidencing the reliability of the theoretical predictions for the characteristics unobserved to date. With the exception of the v
ISSN:0021-9606
1089-7690
DOI:10.1063/1.2898495