Rydberg transitions from the local density approximation

Using quantum defect theory, we show how to extract accurate Rydberg transitions (both frequencies[1] and oscillator strengths[2]) from density functional calculations using the local density approximation, despite the short-ranged potential. For the case of He and Ne, the asymptotic quantum defects predicted by the calculations are in less than 5\% error, yielding transition frequency errors of less than 0.1 eV. \newline \newline [1]Rydberg transition frequencies from the Local Density Approximation A. Wasserman and K. Burke, Phys. Rev. Lett. 95, 163006 (2005). \newline [2]Accurate Rydberg Excitations from Local Density Approximation A. Wasserman, N.T. Maitra, and K. Burke, Phys. Rev. Lett. 91, 263001 (2003).