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A multi-configuration optimised central potential model for atomic-structure calculations. II. Application to magnesium
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Citations
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References
1981
Year
EngineeringMaterial SimulationComputational ChemistryChemistryEnergy MinimizationElectronic StructureDipole Oscillator StrengthsThermodynamic ModellingNumerical SimulationPt.i See Ibid.ThermodynamicsPhysicsAtomic PhysicsPhysical ChemistryQuantum ChemistryAb-initio MethodMchf CalculationsNatural SciencesAtomic-structure CalculationsApplied PhysicsIon Structure
For pt.I see ibid., vol.12, p.3455 (1979). The multi-configuration optimised potential model (MCOPM) has been applied to the calculations of low-lying energy levels and dipole oscillator strengths for magnesium. The results of the model are compared with MCHF calculations as well as to available experimental data. Numerical refinements of the model as well as various approaches to its application are discussed.
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