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dc.contributor.authorLani, Giovanna
dc.contributor.authorMarino, Simone Di
dc.contributor.authorGerolin, Augusto
dc.contributor.authorvan Leeuwen, Robert
dc.contributor.authorGori-Giorgi, Paola
dc.date.accessioned2016-08-24T09:29:00Z
dc.date.available2016-08-24T09:29:00Z
dc.date.issued2016
dc.identifier.citationLani, G., Marino, S. D., Gerolin, A., van Leeuwen, R., & Gori-Giorgi, P. (2016). The adiabatic strictly-correlated-electrons functional : kernel and exact properties. <i>Physical Chemistry Chemical Physics</i>, <i>18</i>(31), 21092-21101. <a href="https://doi.org/10.1039/C6CP00339G" target="_blank">https://doi.org/10.1039/C6CP00339G</a>
dc.identifier.otherCONVID_26141252
dc.identifier.otherTUTKAID_70788
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/51038
dc.description.abstractWe investigate a number of formal properties of the adiabatic strictly-correlated electrons (SCE) functional, relevant for time-dependent potentials and for kernels in linear response time-dependent density functional theory. Among the former, we focus on the compliance to constraints of exact many-body theories, such as the generalised translational invariance and the zero-force theorem. Within the latter, we derive an analytical expression for the adiabatic SCE Hartree exchange–correlation kernel in one dimensional systems, and we compute it numerically for a variety of model densities. We analyse the non-local features of this kernel, particularly the ones that are relevant in tackling problems where kernels derived from local or semi-local functionals are known to fail.
dc.language.isoeng
dc.publisherRSC Publications
dc.relation.ispartofseriesPhysical Chemistry Chemical Physics
dc.subject.otheradiabatic strictly-correlated electrons
dc.subject.otherkernel
dc.subject.otherformal proberties
dc.titleThe adiabatic strictly-correlated-electrons functional : kernel and exact properties
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-201608093739
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.updated2016-08-09T06:15:06Z
dc.type.coarjournal article
dc.description.reviewstatuspeerReviewed
dc.format.pagerange21092-21101
dc.relation.issn1463-9076
dc.relation.numberinseries31
dc.relation.volume18
dc.type.versionpublishedVersion
dc.rights.copyright© the Authors, 2016. This is an open access article licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. The journal is © the Owner Societies 2016.
dc.rights.accesslevelopenAccessfi
dc.rights.urlhttps://creativecommons.org/licenses/by-nc/3.0/
dc.relation.doi10.1039/C6CP00339G


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© the Authors, 2016. This is an open access article licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. The journal is © the Owner Societies 2016.
Except where otherwise noted, this item's license is described as © the Authors, 2016. This is an open access article licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. The journal is © the Owner Societies 2016.