Rydberg transition frequencies from the local density approximation.
A method is given that extracts accurate Rydberg excitations from density functional calculations in 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.
Wasserman
Adam
A
Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854-8087, USA.
Burke
Kieron
K