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Excitations in Time-Dependent Density-Functional Theory

descriptionPublicationkeyboard_double_arrow_right Article , Preprint 31 Jan 2003Embargo end date: 01 Jan 2002Publisher:American Physical Society (APS)Journal:Physical Review Letters, volume 90 (issn: 0031-9007, eissn: 1079-7114, Copyright policy )
Authors: E. K. U. Gross; Kieron Burke; H. Appel; H. Appel;

doi: 10.1103/physrevlett.90.043005 , 10.48550/arxiv.cond-mat/0203027

pmid: 12570418

arXiv: http://arxiv.org/abs/cond-mat/0203027

Excitations in Time-Dependent Density-Functional Theory

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��rling-Levy perturbation theory results, and a method for estimating expectation values of the unknown exchange-correlation kernel.

4 pages, 1 table

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Keywords

Condensed Matter - Materials Science, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences

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    citations
    This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    		 166
    popularity
    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
    		 Top 10%
    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    		 Top 1%
    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
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citations
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
166
Top 10%
Top 1%
Top 1%
Green
bronze