Exchange-correlation kernels for excited states in solids

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dc.creatorTatarczyk, Krzysztof
dc.creatorSchindlmayr, Arno
dc.creatorScheffler, Matthias
dc.date2001-03-16
dc.date.accessioned2026-07-07T06:29:48Z
dc.date.available2026-07-07T06:29:48Z
dc.descriptionThe performance of several common approximations for the exchange-correlation kernel within time-dependent density-functional theory is tested for elementary excitations in the homogeneous electron gas. Although the adiabatic local-density approximation gives a reasonably good account of the plasmon dispersion, systematic errors are pointed out and traced to the neglect of the wavevector dependence. Kernels optimized for atoms are found to perform poorly in extended systems due to an incorrect behavior in the long-wavelength limit, leading to quantitative deviations that significantly exceed the experimental error bars for the plasmon dispersion in the alkali metals.
dc.description7 pages including 5 figures, RevTeX
dc.identifierhttps://arxiv.org/abs/cond-mat/0103357
dc.identifierhttp://arxiv.org/abs/cond-mat/0103357
dc.identifierPhys. Rev. B 63, 235106 (2001).
dc.identifierdoi:10.1103/PhysRevB.63.235106
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/98166
dc.subjectMaterials Science
dc.titleExchange-correlation kernels for excited states in solids
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