Rydberg transition frequencies from the Local Density Approximation

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

References in corpus (2)

• Time-dependent density functional theory: Past, present, and future
• Continuum states from time-dependent density functional theory

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