dc.date.accessioned | 2022-03-22T17:50:54Z | |
dc.date.available | 2022-03-22T17:50:54Z | |
dc.date.created | 2022-01-09T13:48:24Z | |
dc.date.issued | 2021 | |
dc.identifier.citation | Laestadius, Andre Penz, Markus Tellgren, Erik Ingemar . Revisiting density-functional theory of the total current density. Journal of Physics: Condensed Matter. 2021, 33(29), 295504 | |
dc.identifier.uri | http://hdl.handle.net/10852/92744 | |
dc.description.abstract | Abstract
Density-functional theory (DFT) requires an extra variable besides the electron density in order to properly incorporate magnetic-field effects. In a time-dependent setting, the gauge-invariant, total current density takes that role. A peculiar feature of the static ground-state setting is, however, that the gauge-dependent paramagnetic current density appears as the additional variable instead. An alternative, exact reformulation in terms of the total current density has long been sought but to date a work by Diener is the only available candidate. In that work, an unorthodox variational principle was used to establish a ground-state DFT of the total current density as well as an accompanying Hohenberg–Kohn-like result. We here reinterpret and clarify Diener’s formulation based on a maximin variational principle. Using simple facts about convexity implied by the resulting variational expressions, we prove that Diener’s formulation is unfortunately not capable of reproducing the correct ground-state energy and, furthermore, that the suggested construction of a Hohenberg–Kohn map contains an irreparable mistake. | |
dc.language | EN | |
dc.rights | Attribution 4.0 International | |
dc.rights.uri | https://creativecommons.org/licenses/by/4.0/ | |
dc.title | Revisiting density-functional theory of the total current density | |
dc.type | Journal article | |
dc.creator.author | Laestadius, Andre | |
dc.creator.author | Penz, Markus | |
dc.creator.author | Tellgren, Erik Ingemar | |
cristin.unitcode | 185,15,12,70 | |
cristin.unitname | Hylleraas-senteret | |
cristin.ispublished | true | |
cristin.fulltext | original | |
cristin.qualitycode | 1 | |
dc.identifier.cristin | 1977045 | |
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=Journal of Physics: Condensed Matter&rft.volume=33&rft.spage=295504&rft.date=2021 | |
dc.identifier.jtitle | Journal of Physics: Condensed Matter | |
dc.identifier.volume | 33 | |
dc.identifier.issue | 29 | |
dc.identifier.doi | https://doi.org/10.1088/1361-648X/abf784 | |
dc.identifier.urn | URN:NBN:no-95305 | |
dc.type.document | Tidsskriftartikkel | |
dc.type.peerreviewed | Peer reviewed | |
dc.source.issn | 0953-8984 | |
dc.identifier.fulltext | Fulltext https://www.duo.uio.no/bitstream/handle/10852/92744/1/Laestadius_2021_J._Phys.%2B_Condens._Matter_33_295504.pdf | |
dc.type.version | PublishedVersion | |
cristin.articleid | 295504 | |
dc.relation.project | ERC/639508 | |
dc.relation.project | NFR/287950 | |
dc.relation.project | NFR/287906 | |
dc.relation.project | NFR/262695 | |