Rydberg transition frequencies from the Local Density Approximation
classification
❄️ cond-mat.other
cond-mat.mtrl-sci
keywords
densitylessrydbergtransitionaccurateapproximationasymptoticcalculations
read the original 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.
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