The quantum defect: the true measure of time-dependent density-functional results for atoms.
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 are much better quantified and understood in terms of the quantum defect rather than transition energies.
van Faassen
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Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854-8087, USA. faassen@rutchem.rutgers.edu
Burke
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