The Journal of Chemical Physics · 1967 · 88 citations · 7 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsCrystal StructureSpectroscopyAb Initio MethodsCrystal Field TheoryCrystal LatticeCrystal SystemsCrystallographyElectronic Band StructureBand Structure CalculationCrystal Field AnalysisCrystal Field Effects In Solid-state MaterialsCrystal Field ParametersCrystal Field Theory Of LanthanidesCrystal-field EffectsCubic Crystal LatticesRotational Energy Levels
The energy levels of the configurations fd and f13d in cubic crystal fields have been calculated as a function of the f- and d-electron crystal-field parameters. The results are used to explain the spectrum of Yb++ in SrCl2. Both the calculated energies and calculated intensities agree well with experiment.
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Frank Herman, Sherwood Skillman, JOHN ARENTS · Journal of The Electrochemical Society · 1964 · 4K citations