The Journal of Chemical Physics · 1970 · 110 citations · 24 references
Quantum ScienceExcited State PropertyVibronic InteractionEngineeringElectronic Excited StatePhysicsNatural SciencesAtomic PhysicsPhysical ChemistryStable Rydberg StatesComputational ChemistryChemistryQuantum ChemistryPotential-energy CurvesRkr ProceduresSpectra-structure Correlation
Potential-energy curves for the stable Rydberg states of He2, constructed using RKR procedures, are presented and discussed. The presentation is essentially complete for all states lying below approximately 0.8 eV of N = 0, υ = 0 of X 2Σu+ (He2+), while the relative positions of the molecular and separated-atom term manifolds are probably within 0.03–0.04 eV. Whenever possible, the RKR results are compared with theoretically computed potential energies.
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