The quantum defect: the true measure of time-dependent density-functional results for atoms |
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| Authors: | van Faassen Meta Burke Kieron |
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| Institution: | Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854-8087, USA. faassen@rutchem.rutgers.edu |
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| Abstract: | 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. |
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