The quantum defect: the true measure of time-dependent density-functional results for atoms
arXiv:cond-mat/0511297 · doi:10.1063/1.2173252
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 is much better quantified and understood in terms of the quantum defect, rather than transition energies.
10 pages, 10 figures, submitted to J. Chem. Phys