The quantum defect: the true measure of time-dependent density-functional results for atoms
Materials Science
2009-11-11 v1
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.
Keywords
Cite
@article{arxiv.cond-mat/0511297,
title = {The quantum defect: the true measure of time-dependent density-functional results for atoms},
author = {Meta van Faassen and Kieron Burke},
journal= {arXiv preprint arXiv:cond-mat/0511297},
year = {2009}
}
Comments
10 pages, 10 figures, submitted to J. Chem. Phys