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Energy Levels in the Magnesium Sequence, Mg I-Mn XIV, Calculated in the Multiconfiguration Optimized Potential Model
20
Citations
16
References
1986
Year
Mg I-mn XivEngineeringEnergy EfficiencyComputational ChemistryChemistryElectronic StructureMagnesium SequenceForbidden Transition RatesModeling And SimulationEnergy LevelsPhysicsQuantum ChemistryEnergyAb-initio MethodConfiguration Interaction CalculationEnergy ManagementNatural SciencesApplied PhysicsMn XivIon Structure
The energies of a large number of low-lying levels in the atoms and ions of the Magnesium isoelectronic sequence from Mg I to Mn XIV have been calculated in a configuration interaction calculation. The orbitals are determined as eigenfunctions of the one-particle Schrödinger equation for a central potential that is variationally optimized. A relativistic calculation using the Breit approximation is carried out in the potentials calculated non-relativistically. The results are generally in good agreement with experiment, but a number of possible reassignments are suggested. Singlet-triplet separations important for forbidden transition rates, and fine-structure intervals are also tabulated.
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