Rydberg transition frequencies from the Local Density Approximation

Adam Wasserman; Kieron Burke

doi:10.1103/physrevlett.95.163006

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Rydberg transition frequencies from the Local Density Approximation

Adam Wasserman·Kieron Burke

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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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Adam Wasserman, Kieron Burke. 2005-06-10. Rydberg transition frequencies from the Local Density Approximation. https://doi.org/10.1103/physrevlett.95.163006

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