Publication | Open Access
The Electronic Spectrum of the UO<sub>2</sub>Molecule
111
Citations
21
References
2004
Year
Microwave SpectroscopyInclusion Spin-orbit CouplingExcited State PropertyEngineeringPhysicsNatural SciencesSpectroscopyGerade SymmetryElectronic SpectrumSpectra-structure CorrelationPhysical ChemistryComputational ChemistryChemistryQuantum ChemistryElectronic Excited StateElectronic StructureGround StateBiophysics
The electronic spectrum of the UO(2) molecule has been determined using multiconfigurational wave functions together with the inclusion spin-orbit coupling. The molecule has been found to have a (5fphi)(7s), (3)Phi(2u), ground state. The lowest state of gerade symmetry,( 3)H(4g), corresponding to the electronic configuration (5f)(2) was found 3330 cm(-1) above the ground state. The computed energy levels and oscillator strengths were used for the assignment of the experimental spectrum in the energy range 17,000-19,000 and 27,000-32,000 cm(-1).
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