Physical Review A · 1991 · 46 citations · 33 references
Natural SciencesPhysicsAtomic PhysicsQuantum ChemistryQuantum MechanicsAb Initio MethodsApproximation MethodsDensity Functional TheoryMolecular Orbital TheoryRelativistic Quantum MechanicsAtomic Structure CalculationsIsoelectronic SequencesOscillator StrengthsQuantum Defect TheoryQuantum DefectsRelativistic EffectsRelativistic Quantum ChemistryResonance
The quantum-defect-orbital method has been reformulated in order to include a major part of the relativistic effects. The resulting quasirelativistic approach retains the simplicity of the original formulation but leads to more reliable results, particularly for the highly ionized atoms. The theory is illustrated by a series of calculations of oscillator strengths for the resonance transitions in atoms of lithium, sodium, and copper isoelectronic sequences.
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An atomic multiconfigurational Dirac-Fock package
I. P. Grant, Blair McKenzie, P. H. Norrington et al. · Computer Physics Communications · 1980 · 1.8K citations
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Quantum defect theory I. General formulation
M. J. Seaton · Proceedings of the Physical Society · 1966 · 538 citations