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dc.date.accessioned2022-03-20T16:11:12Z
dc.date.available2022-03-20T16:11:12Z
dc.date.created2021-10-01T12:27:04Z
dc.date.issued2021
dc.identifier.citationKvaal, Simen Laestadius, Andre Tellgren, Erik Ingemar Helgaker, Trygve . Lower Semicontinuity of the Universal Functional in Paramagnetic Current-Density Functional Theory. The Journal of Physical Chemistry Letters. 2021, 12(5), 1421-1425
dc.identifier.urihttp://hdl.handle.net/10852/92666
dc.description.abstractA cornerstone of current–density functional theory (CDFT) in its paramagnetic formulation is proven. After a brief outline of the mathematical structure of CDFT, the lower semicontinuity and expectation-valuedness of the CDFT constrained-search functional is proven, meaning that there is always a minimizing density matrix in the CDFT constrained-search universal density functional. These results place the mathematical framework of CDFT on the same footing as that of standard DFT.
dc.languageEN
dc.rightsAttribution 4.0 International
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/
dc.titleLower Semicontinuity of the Universal Functional in Paramagnetic Current-Density Functional Theory
dc.typeJournal article
dc.creator.authorKvaal, Simen
dc.creator.authorLaestadius, Andre
dc.creator.authorTellgren, Erik Ingemar
dc.creator.authorHelgaker, Trygve
cristin.unitcode185,15,12,70
cristin.unitnameHylleraas-senteret
cristin.ispublishedtrue
cristin.fulltextoriginal
cristin.qualitycode1
dc.identifier.cristin1942148
dc.identifier.bibliographiccitationinfo:ofi/fmt:kev:mtx:ctx&ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=The Journal of Physical Chemistry Letters&rft.volume=12&rft.spage=1421&rft.date=2021
dc.identifier.jtitleThe Journal of Physical Chemistry Letters
dc.identifier.volume12
dc.identifier.issue5
dc.identifier.startpage1421
dc.identifier.endpage1425
dc.identifier.doihttps://doi.org/10.1021/acs.jpclett.0c03422
dc.identifier.urnURN:NBN:no-95255
dc.type.documentTidsskriftartikkel
dc.type.peerreviewedPeer reviewed
dc.source.issn1948-7185
dc.identifier.fulltextFulltext https://www.duo.uio.no/bitstream/handle/10852/92666/1/acs.jpclett.0c03422.pdf
dc.type.versionPublishedVersion
dc.relation.projectEU/639508
dc.relation.projectNFR/262695
dc.relation.projectNFR/287906


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