paper

Rydberg transition frequencies from the Local Density Approximation

arXiv:cond-mat/0506252 · doi:10.1103/PhysRevLett.95.163006

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.

4 pages, 6 figures, submitted to Phys. Rev. Lett

Rydberg transition frequencies from the Local Density Approximation · wovepaper