The quantum defect: the true measure of time-dependent density-functional results for atoms

Details The quantum defect: the true measure of time-dependent density-functional results for atoms The quantum defect: the true measure of time-dependent density-functional results for atoms

2005-11-11

arxiv.org/abs/cond-mat/0511297v1

Physics

Condensed Matter

Materials Science

10 pages, 10 figures, submitted to J. Chem. Phys

Scientific paper

10.1063/1.2173252

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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