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Natural occupation numbers in two-electron quantum rings

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dc.contributor.authorLoos, Pierre-Francois
dc.contributor.authorTognetti, Vincent
dc.date.accessioned2018-11-29T22:52:54Z
dc.date.available2018-11-29T22:52:54Z
dc.date.issued2016
dc.date.updated2018-11-29T07:49:51Z
dc.description.abstractNatural orbitals (NOs) are central constituents for evaluating correlation energies through efficient approximations. Here, we report the closed-form expression of the NOs of two-electron quantum rings, which are prototypical finite-extension systems and new starting points for the development of exchange-correlation functionals in density functional theory. We also show that the natural occupation numbers for these two-electron paradigms are in general non-vanishing and follow the same power law decay as atomic and molecular two-electron systems. C 2016 AIP Publishing LLC.
dc.format.mimetypeapplication/pdfen_AU
dc.identifier.issn0021-9606
dc.identifier.urihttp://hdl.handle.net/1885/152314
dc.publisherAmerican Institute of Physics (AIP)
dc.sourceJournal of Chemical Physics
dc.titleNatural occupation numbers in two-electron quantum rings
dc.typeJournal article
dcterms.accessRightsOpen Accessen_AU
local.bibliographicCitation.issue5
local.bibliographicCitation.lastpage6
local.bibliographicCitation.startpage1
local.contributor.affiliationLoos, Pierre-Francois, College of Science, ANU
local.contributor.affiliationTognetti, Vincent, Université de Rouen
local.contributor.authoruidLoos, Pierre-Francois, u4622940
local.description.notesImported from ARIES
local.identifier.absfor030700 - THEORETICAL AND COMPUTATIONAL CHEMISTRY
local.identifier.absseo970103 - Expanding Knowledge in the Chemical Sciences
local.identifier.ariespublicationU3488905xPUB9101
local.identifier.citationvolume144
local.identifier.doi10.1063/1.4940919
local.identifier.scopusID2-s2.0-84957587469
local.identifier.thomsonID000369893900010
local.type.statusPublished Version

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