The quantum defect: the true measure of time-dependent density-functional results for atoms
classification
❄️ cond-mat.mtrl-sci
keywords
defectquantumatomscalculationsdensity-functionaltime-dependentappliedbehavior
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Quantum defect theory is applied to (time-dependent) density-functional calculations of Rydberg series for closed shell atoms: He, Be, and Ne. The performance and behavior of such calculations is much better quantified and understood in terms of the quantum defect, rather than transition energies.
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