Journal of Physics B Atomic and Molecular Physics · 1984 · 69 citations · 30 references
Natural SciencesPhysicsAtomic PhysicsComputational ChemistryQuantum MechanicsAb Initio MethodsAtomic TransitionsDensity Functional TheoryElectron CorrelationMolecular Orbital TheoryRelaxation MechanismsMulti-orbital CorrelationsOrbital RelaxationRadiative Transition Rates
The possibility of using multiple orbitals with the same quantum numbers has been added to a multiconfiguration Dirac-Fock program. This is used to describe the relaxations when several states are computed simultaneously. As an application, the calculation of ns2-nsnp radiative transition rates in neutral atoms is presented.
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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
The Hartree-Fock Method for Atoms
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