Journal of Physics B Atomic Molecular and Optical Physics · 1989 · 81 citations · 58 references
Natural SciencesChemistryPhysicsPhysical ChemistryQuantum ChemistrySpectroscopyAb Initio MethodsChemical PotentialElectronic Excited StatesMolecular Excited StatesMolecular Orbital TheoryPotential Energy SurfacesExcited Electronic StatesExcited State CalculationsExcited StatesExcited-state Electronic StructurePotential Energy CurvesPotential Energy FunctionsPseudopotentialsSpectroscopic Constants
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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W. Müller, J. Flesch, Wilfried Meyer · The Journal of Chemical Physics · 1984 · 666 citations
Natural Sciences, Chemistry, Physics +17