dc.date.accessioned | 2022-03-20T16:11:12Z | |
dc.date.available | 2022-03-20T16:11:12Z | |
dc.date.created | 2021-10-01T12:27:04Z | |
dc.date.issued | 2021 | |
dc.identifier.citation | Kvaal, 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.uri | http://hdl.handle.net/10852/92666 | |
dc.description.abstract | A 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.language | EN | |
dc.rights | Attribution 4.0 International | |
dc.rights.uri | https://creativecommons.org/licenses/by/4.0/ | |
dc.title | Lower Semicontinuity of the Universal Functional in Paramagnetic Current-Density Functional Theory | |
dc.type | Journal article | |
dc.creator.author | Kvaal, Simen | |
dc.creator.author | Laestadius, Andre | |
dc.creator.author | Tellgren, Erik Ingemar | |
dc.creator.author | Helgaker, Trygve | |
cristin.unitcode | 185,15,12,70 | |
cristin.unitname | Hylleraas-senteret | |
cristin.ispublished | true | |
cristin.fulltext | original | |
cristin.qualitycode | 1 | |
dc.identifier.cristin | 1942148 | |
dc.identifier.bibliographiccitation | info: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.jtitle | The Journal of Physical Chemistry Letters | |
dc.identifier.volume | 12 | |
dc.identifier.issue | 5 | |
dc.identifier.startpage | 1421 | |
dc.identifier.endpage | 1425 | |
dc.identifier.doi | https://doi.org/10.1021/acs.jpclett.0c03422 | |
dc.identifier.urn | URN:NBN:no-95255 | |
dc.type.document | Tidsskriftartikkel | |
dc.type.peerreviewed | Peer reviewed | |
dc.source.issn | 1948-7185 | |
dc.identifier.fulltext | Fulltext https://www.duo.uio.no/bitstream/handle/10852/92666/1/acs.jpclett.0c03422.pdf | |
dc.type.version | PublishedVersion | |
dc.relation.project | EU/639508 | |
dc.relation.project | NFR/262695 | |
dc.relation.project | NFR/287906 | |