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Theoretical study of the excited states of the heavier alkali dimers. II. The Rb<sub>2</sub>molecule
80
Citations
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References
1989
Year
Excited State PropertyLocalized Excited StateTheoretical StudyEngineeringPhysicsNatural SciencesExcited StatesAtomic PhysicsPhysical ChemistryHeavier Alkali DimersCalculated PotentialsRb2 MoleculeQuantum ChemistryChemistryElectronic Excited StateSpectra-structure CorrelationAb-initio MethodEnergy Potential Curves
For pt.I see ibid., vol.22, p.1721 (1989). The energy potential curves for the 56 lowest states of the Rb2 molecule are determined using relativistic core pseudopotentials, configuration interaction and a perturbative treatment of the core-valence interaction. Comparison with experimental determinations of spectroscopic constants, when available, is performed, and predissociation of the (2)1 Pi u(C) and (3)1 Pi u(D) states is discussed in the light of the calculated potentials.
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