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dc.contributor.authorHopjan, M.
dc.contributor.authorKarlsson, Daniel
dc.contributor.authorYdman, S.
dc.contributor.authorVerdozzi, C.
dc.contributor.authorAlmbladh, C.-O.
dc.date.accessioned2016-08-22T11:26:17Z
dc.date.available2016-08-22T11:26:17Z
dc.date.issued2016
dc.identifier.citationHopjan, M., Karlsson, D., Ydman, S., Verdozzi, C., & Almbladh, C.-O. (2016). Merging Features from Green's Functions and Time Dependent Density Functional Theory : A Route to the Description of Correlated Materials out of Equilibrium?. <i>Physical Review Letters</i>, <i>116</i>(23), Article 236402. <a href="https://doi.org/10.1103/PhysRevLett.116.236402" target="_blank">https://doi.org/10.1103/PhysRevLett.116.236402</a>
dc.identifier.otherCONVID_26163892
dc.identifier.otherTUTKAID_70902
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/50994
dc.description.abstractWe propose a description of nonequilibrium systems via a simple protocol that combines exchangecorrelation potentials from density functional theory with self-energies of many-body perturbation theory. The approach, aimed to avoid double counting of interactions, is tested against exact results in Hubbardtype systems, with respect to interaction strength, perturbation speed and inhomogeneity, and system dimensionality and size. In many regimes, we find significant improvement over adiabatic time dependent density functional theory or second Born nonequilibrium Green’s function approximations. We briefly discuss the reasons for the residual discrepancies, and directions for future work.
dc.language.isoeng
dc.publisherAmerican Physical Society
dc.relation.ispartofseriesPhysical Review Letters
dc.subject.otherperturbation techniques
dc.subject.othercorrelated materials
dc.subject.otherexchange-correlation potential
dc.subject.otherinteraction strength
dc.subject.othermany body perturbation theory
dc.subject.othernon-equilibrium Green's function
dc.subject.othernonequilibrium system
dc.subject.otherout of equilibrium
dc.subject.othertime dependent density functional theory
dc.titleMerging Features from Green's Functions and Time Dependent Density Functional Theory : A Route to the Description of Correlated Materials out of Equilibrium?
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-201608153801
dc.contributor.laitosFysiikan laitosfi
dc.contributor.laitosDepartment of Physicsen
dc.contributor.oppiaineNanoscience Centerfi
dc.contributor.oppiaineNanoscience Centeren
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.date.updated2016-08-15T12:15:06Z
dc.type.coarjournal article
dc.description.reviewstatuspeerReviewed
dc.relation.issn0031-9007
dc.relation.numberinseries23
dc.relation.volume116
dc.type.versionpublishedVersion
dc.rights.copyright© 2016 American Physical Society. Published in this repository with the kind permission of the publisher.
dc.rights.accesslevelopenAccessfi
dc.relation.doi10.1103/PhysRevLett.116.236402


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