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Excitations in time-dependent density-functional theory.

Authors
  • Appel, H
  • Gross, E K U
  • Burke, K
Type
Published Article
Journal
Physical review letters
Publication Date
Jan 31, 2003
Volume
90
Issue
4
Pages
43005–43005
Identifiers
PMID: 12570418
Source
Medline
License
Unknown

Abstract

An approximate solution to the time-dependent density-functional theory response equations for finite systems is developed, yielding corrections to the single-pole approximation. These explain why allowed Kohn-Sham transition frequencies and oscillator strengths are usually good approximations to the true values, and why sometimes they are not. The approximation yields simple expressions for Görling-Levy perturbation theory results, and a method for estimating expectation values of the unknown exchange-correlation kernel.

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