Rydberg transition frequencies from the Local Density Approximation

Details Rydberg transition frequencies from the Local Density Approximation Rydberg transition frequencies from the Local Density Approximation

2005-06-10

arxiv.org/abs/cond-mat/0506252v1

Physics

Condensed Matter

Other Condensed Matter

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

Scientific paper

10.1103/PhysRevLett.95.163006

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.

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