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dc.contributor.authorTao, Jianmineng
dc.contributor.authorVignale, Giovanni, 1957-eng
dc.contributor.authorTokatly, I. V.eng
dc.date.issued2007eng
dc.descriptionURL:http://link.aps.org/doi/10.1103/PhysRevB.76.195126 DOI:10.1103/PhysRevB.76.195126eng
dc.description.abstractWe have recently proposed an approximation for the dynamical exchange-correlation (XC) potentials of time-dependent current-density functional theory beyond the local density approximation [Phys. Rev. Lett. 97, 036403 (2006)]. The novel feature of the approximation is that the dependence of the dynamical XC potentials upon the density gradient and other inhomogeneity parameters (e.g., the Laplacian of the density and the kinetic energy density) is introduced by applying the generalized gradient approximation (GGA) and meta-GGA to the calculation of the XC stress tensor. The scheme may allow a more accurate treatment of the dynamical properties of an inhomogeneous system, while reducing to the exact form for slowly varying densities and slowly varying external potentials. In this work, we present in detail the derivation of this XC potential, spell out the underlying assumptions, and explain their physical basis.eng
dc.description.sponsorshipThis work was supported by the DOE under Grant No. DE-FG02-05ER46203.eng
dc.identifier.citationPhys. Rev. B 76, 195126 (2007) [13 pages]eng
dc.identifier.issn1098-0121eng
dc.identifier.urihttp://hdl.handle.net/10355/7728eng
dc.languageEnglisheng
dc.publisherAmerican Physical Societyeng
dc.relation.ispartofcollectionUniversity of Missouri--Columbia. College of Arts and Sciences. Department of Physics and Astronomy. Physics and Astronomy publicationseng
dc.subjectlocal density approximationeng
dc.subjectgradient and other correctionseng
dc.subjectexchange, correlation, dielectric and magnetic response functionseng
dc.subject.lcshDensity functionalseng
dc.subject.lcshDensityeng
dc.subject.lcshApproximation theoryeng
dc.subject.lcshConjugate gradient methodseng
dc.subject.lcshPlasmonseng
dc.titleTime-dependent density functional theory: Derivation of gradient-corrected dynamical exchange-correlational potentialseng
dc.typeArticleeng


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