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arxiv: cond-mat/0511297 · v1 · submitted 2005-11-11 · ❄️ cond-mat.mtrl-sci

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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