Accurate Rydberg Excitations from the Local Density Approximation

Adam Wasserman, Neepa T. Maitra, and Kieron Burke
Phys. Rev. Lett. 91, 263001 – Published 29 December 2003

Abstract

Despite the incorrect asymptotic behavior of its potential, the time-dependent local density approximation can yield accurate optical spectra. The oscillator strengths of Rydberg excitations appear in the calculated spectrum as continuum contributions with excellent optical intensity. We explain why, illustrate this for the neon and helium atoms, and also discuss when such calculations of the optical response will be inaccurate.

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  • Received 2 June 2003

DOI:https://doi.org/10.1103/PhysRevLett.91.263001

©2003 American Physical Society

Authors & Affiliations

Adam Wasserman1, Neepa T. Maitra2, and Kieron Burke1

  • 1Department of Chemistry and Chemical Biology, Rutgers University, 610 Taylor Road, Piscataway, New Jersey 08854, USA
  • 2Department of Physics and Astronomy, Hunter College of the City University of New York, 695 Park Avenue, New York, New York 10021, USA

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Issue

Vol. 91, Iss. 26 — 31 December 2003

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