Self-consistent assessment of Englert-Schwinger model on atomic properties
dc.contributor | Aalto-yliopisto | fi |
dc.contributor | Aalto University | en |
dc.contributor.author | Lehtomäki, Jouko | |
dc.contributor.author | Lopez-Acevedo, Olga | |
dc.contributor.department | Computational Soft and Molecular Matter | |
dc.contributor.department | Department of Applied Physics | en |
dc.date.accessioned | 2018-02-09T10:03:19Z | |
dc.date.available | 2018-02-09T10:03:19Z | |
dc.date.embargo | info:eu-repo/date/embargoEnd/2018-12-18 | |
dc.date.issued | 2017-12-21 | |
dc.description.abstract | Our 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.version | Peer reviewed | en |
dc.format.extent | 1-10 | |
dc.format.mimetype | application/pdf | |
dc.identifier.citation | Lehtomäki , 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/10.1063/1.5000908 | en |
dc.identifier.doi | 10.1063/1.5000908 | |
dc.identifier.issn | 0021-9606 | |
dc.identifier.issn | 1089-7690 | |
dc.identifier.other | PURE UUID: 9dfc370b-4727-497e-b4c2-c7632145b9c4 | |
dc.identifier.other | PURE ITEMURL: https://research.aalto.fi/en/publications/9dfc370b-4727-497e-b4c2-c7632145b9c4 | |
dc.identifier.other | PURE LINK: http://www.scopus.com/inward/record.url?scp=85038964477&partnerID=8YFLogxK | |
dc.identifier.other | PURE FILEURL: https://research.aalto.fi/files/16956162/1.5000908.pdf | |
dc.identifier.uri | https://aaltodoc.aalto.fi/handle/123456789/29929 | |
dc.identifier.urn | URN:NBN:fi:aalto-201802091426 | |
dc.language.iso | en | en |
dc.relation.ispartofseries | Journal of Chemical Physics | en |
dc.relation.ispartofseries | Volume 147, issue 23 | en |
dc.rights | openAccess | en |
dc.title | Self-consistent assessment of Englert-Schwinger model on atomic properties | en |
dc.type | A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä | fi |