Self-consistent assessment of Englert-Schwinger model on atomic properties

dc.contributorAalto-yliopistofi
dc.contributorAalto Universityen
dc.contributor.authorLehtomäki, Jouko
dc.contributor.authorLopez-Acevedo, Olga
dc.contributor.departmentComputational Soft and Molecular Matter
dc.contributor.departmentDepartment of Applied Physicsen
dc.date.accessioned2018-02-09T10:03:19Z
dc.date.available2018-02-09T10:03:19Z
dc.date.embargoinfo:eu-repo/date/embargoEnd/2018-12-18
dc.date.issued2017-12-21
dc.description.abstractOur manuscript investigates a self-consistent solution of the statistical atom model proposed by Berthold-Georg Englert and Julian Schwinger (the ES model) and benchmarks it against atomic Kohn-Sham and two orbital-free models of the Thomas-Fermi-Dirac (TFD)-λvW family. Results show that the ES model generally offers the same accuracy as the well-known TFD-15vW model; however, the ES model corrects the failure in the Pauli potential near-nucleus region. We also point to the inability of describing low-Z atoms as the foremost concern in improving the present model.en
dc.description.versionPeer revieweden
dc.format.extent1-10
dc.format.mimetypeapplication/pdf
dc.identifier.citationLehtomäki , J & Lopez-Acevedo , O 2017 , ' Self-consistent assessment of Englert-Schwinger model on atomic properties ' , Journal of Chemical Physics , vol. 147 , no. 23 , 234102 , pp. 1-10 . https://doi.org/10.1063/1.5000908en
dc.identifier.doi10.1063/1.5000908
dc.identifier.issn0021-9606
dc.identifier.issn1089-7690
dc.identifier.otherPURE UUID: 9dfc370b-4727-497e-b4c2-c7632145b9c4
dc.identifier.otherPURE ITEMURL: https://research.aalto.fi/en/publications/9dfc370b-4727-497e-b4c2-c7632145b9c4
dc.identifier.otherPURE LINK: http://www.scopus.com/inward/record.url?scp=85038964477&partnerID=8YFLogxK
dc.identifier.otherPURE FILEURL: https://research.aalto.fi/files/16956162/1.5000908.pdf
dc.identifier.urihttps://aaltodoc.aalto.fi/handle/123456789/29929
dc.identifier.urnURN:NBN:fi:aalto-201802091426
dc.language.isoenen
dc.relation.ispartofseriesJournal of Chemical Physicsen
dc.relation.ispartofseriesVolume 147, issue 23en
dc.rightsopenAccessen
dc.titleSelf-consistent assessment of Englert-Schwinger model on atomic propertiesen
dc.typeA1 Alkuperäisartikkeli tieteellisessä aikakauslehdessäfi

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