Excitations in time-dependent density-functional theory
Materials Science
2009-11-07 v1
Abstract
An approximate solution to the time-dependent density functional theory (TDDFT) 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 G\"orling-Levy perturbation theory results, and a method for estimating expectation values of the unknown exchange-correlation kernel.
Keywords
Cite
@article{arxiv.cond-mat/0203027,
title = {Excitations in time-dependent density-functional theory},
author = {H. Appel and E. K. U. Gross and K. Burke},
journal= {arXiv preprint arXiv:cond-mat/0203027},
year = {2009}
}
Comments
4 pages, 1 table