dc.date.accessioned | 2017-08-16T14:32:49Z | |
dc.date.available | 2017-08-16T14:32:49Z | |
dc.date.created | 2014-01-31T11:16:26Z | |
dc.date.issued | 2014 | |
dc.identifier.citation | Tellgren, Erik Kvaal, Simen Helgaker, Trygve . Fermion N -representability for prescribed density and paramagnetic current density. Physical Review A. Atomic, Molecular, and Optical Physics. 2014, 89(1) | |
dc.identifier.uri | http://hdl.handle.net/10852/57115 | |
dc.description.abstract | The N-representability problem is the problem of determining whether there exists N-particle states with some prescribed property. Here we report an affirmative solution to the fermion N-representability problem when both the density and the paramagnetic current density are prescribed. This problem arises in current-density functional theory and is a generalization of the well-studied corresponding problem (only the density prescribed) in density functional theory. Given any density and paramagnetic current density satisfying a minimal regularity condition (essentially that a von Weizäcker–like canonical kinetic energy density is locally integrable), we prove that there exists a corresponding N-particle state. We prove this by constructing an explicit one-particle reduced density matrix in the form of a position-space kernel, i.e., a function of two continuous-position variables. In order to make minimal assumptions, we also address mathematical subtleties regarding the diagonal of, and how to rigorously extract paramagnetic current densities from, one-particle reduced density matrices in kernel form.
© 2014 American Physical Society | en_US |
dc.language | EN | |
dc.publisher | American Physical Society | |
dc.title | Fermion N -representability for prescribed density and paramagnetic current density | en_US |
dc.type | Journal article | en_US |
dc.creator.author | Tellgren, Erik | |
dc.creator.author | Kvaal, Simen | |
dc.creator.author | Helgaker, Trygve | |
cristin.unitcode | 185,15,12,0 | |
cristin.unitname | Kjemisk institutt | |
cristin.ispublished | true | |
cristin.fulltext | original | |
cristin.qualitycode | 2 | |
dc.identifier.cristin | 1106149 | |
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=Physical Review A. Atomic, Molecular, and Optical Physics&rft.volume=89&rft.spage=&rft.date=2014 | |
dc.identifier.jtitle | Physical Review A. Atomic, Molecular, and Optical Physics | |
dc.identifier.volume | 89 | |
dc.identifier.issue | 1 | |
dc.identifier.doi | http://dx.doi.org/10.1103/PhysRevA.89.012515 | |
dc.identifier.urn | URN:NBN:no-59818 | |
dc.type.document | Tidsskriftartikkel | en_US |
dc.type.peerreviewed | Peer reviewed | |
dc.source.issn | 1050-2947 | |
dc.identifier.fulltext | Fulltext https://www.duo.uio.no/bitstream/handle/10852/57115/2/PhysRevA.89.012515.pdf | |
dc.type.version | PublishedVersion | |
cristin.articleid | 012515 | |