Rydberg transition frequencies from the Local Density Approximation
Other Condensed Matter
2009-11-11 v1 Materials Science
Abstract
A method is given that extracts accurate Rydberg excitations from LDA density functional calculations, despite the short-ranged potential. For the case of He and Ne, the asymptotic quantum defects predicted by LDA are in less than 5% error, yielding transition frequency errors of less than 0.1eV.
Cite
@article{arxiv.cond-mat/0506252,
title = {Rydberg transition frequencies from the Local Density Approximation},
author = {Adam Wasserman and Kieron Burke},
journal= {arXiv preprint arXiv:cond-mat/0506252},
year = {2009}
}
Comments
4 pages, 6 figures, submitted to Phys. Rev. Lett