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dc.contributor.authorRuggenthaler, Michael
dc.contributor.authorNielsen, S.E.B.
dc.contributor.authorvan Leeuwen, Robert
dc.date.accessioned2016-01-28T08:14:46Z
dc.date.available2016-01-28T08:14:46Z
dc.date.issued2013
dc.identifier.citationRuggenthaler, M., Nielsen, S., & van Leeuwen, R. (2013). Analytic density-functionals with initial-state dependence and memory. <i>Physical Review A</i>, <i>88</i>, Article 022512. <a href="https://doi.org/10.1103/PhysRevA.88.022512" target="_blank">https://doi.org/10.1103/PhysRevA.88.022512</a>
dc.identifier.otherCONVID_23216751
dc.identifier.otherTUTKAID_60656
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/48496
dc.description.abstractWe analytically construct the wave function that, for a given initial state, produces a prescribed density for a quantum ring with two noninteracting particles in a singlet state. In this case the initial state is completely determined by the initial density, the initial time derivative of the density and a single integer that characterizes the (angular) momentum of the system. We then give an exact analytic expression for the exchange-correlation potential that relates two noninteracting systems with different initial states. This is used to demonstrate how the Kohn-Sham procedure predicts the density of a reference system without the need of solving the reference system’s Schrodinger equation. We further numerically construct the exchange-correlation potential for an analytically ¨ solvable system of two electrons on a quantum ring with a squared cosine two-body interaction. For the same case we derive an explicit analytic expression for the exchange-correlation kernel and analyze its frequency dependence (memory) in detail. We compare the result to simple adiabatic approximations and investigate the single-pole approximation. These approximations fail to describe the doubly excited states, but perform well in describing the singly excited states.
dc.language.isoeng
dc.publisherAmerican Physical Society
dc.relation.ispartofseriesPhysical Review A
dc.subject.othertheoretical nanoscience
dc.titleAnalytic density-functionals with initial-state dependence and memory
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-201601191156
dc.contributor.laitosFysiikan laitosfi
dc.contributor.laitosDepartment of Physicsen
dc.contributor.oppiaineFysiikkafi
dc.contributor.oppiaineNanoscience Centerfi
dc.contributor.oppiainePhysicsen
dc.contributor.oppiaineNanoscience Centeren
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.date.updated2016-01-19T16:15:08Z
dc.type.coarjournal article
dc.description.reviewstatuspeerReviewed
dc.relation.issn1050-2947
dc.relation.volume88
dc.type.versionpublishedVersion
dc.rights.copyright© 2013 American Physical Society. Published in this repository with the kind permission of the publisher.
dc.rights.accesslevelopenAccessfi
dc.relation.doi10.1103/PhysRevA.88.022512


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