dc.date.accessioned | 2021-03-15T20:43:20Z | |
dc.date.available | 2021-03-15T20:43:20Z | |
dc.date.created | 2020-09-22T09:59:25Z | |
dc.date.issued | 2020 | |
dc.identifier.citation | Laestadius, Andre Faulstich, Fabian Maximilian . One-dimensional Lieb–Oxford bounds. Journal of Chemical Physics. 2020, 152(23), 234112 | |
dc.identifier.uri | http://hdl.handle.net/10852/84100 | |
dc.description.abstract | We investigate and prove Lieb–Oxford bounds in one dimension by studying convex potentials that approximate the ill-defined Coulomb potential. A Lieb–Oxford inequality establishes a bound of the indirect interaction energy for electrons in terms of the one-body particle density ρψ of a wave function ψ. Our results include modified soft Coulomb potential and regularized Coulomb potential. For these potentials, we establish Lieb–Oxford-type bounds utilizing logarithmic expressions of the particle density. Furthermore, a previous conjectured form Ixc(ψ)≥−C1∫ℝρψ(x)2dx is discussed for different convex potentials. | |
dc.language | EN | |
dc.title | One-dimensional Lieb–Oxford bounds | |
dc.type | Journal article | |
dc.creator.author | Laestadius, Andre | |
dc.creator.author | Faulstich, Fabian Maximilian | |
cristin.unitcode | 185,15,12,70 | |
cristin.unitname | Hylleraas-senteret | |
cristin.ispublished | true | |
cristin.fulltext | postprint | |
cristin.qualitycode | 1 | |
dc.identifier.cristin | 1831984 | |
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 Chemical Physics&rft.volume=152&rft.spage=234112&rft.date=2020 | |
dc.identifier.jtitle | Journal of Chemical Physics | |
dc.identifier.volume | 152 | |
dc.identifier.issue | 23 | |
dc.identifier.doi | https://doi.org/10.1063/5.0009419 | |
dc.identifier.urn | URN:NBN:no-86847 | |
dc.type.document | Tidsskriftartikkel | |
dc.type.peerreviewed | Peer reviewed | |
dc.source.issn | 0021-9606 | |
dc.identifier.fulltext | Fulltext https://www.duo.uio.no/bitstream/handle/10852/84100/2/LO-bound-Laestadius-Faulstich-post-print.pdf | |
dc.type.version | AcceptedVersion | |
cristin.articleid | 234112 | |
dc.relation.project | NFR/262695 | |
dc.relation.project | NFR/287906 | |
dc.relation.project | EU/639508 | |