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Relativistic calculations of screening parameters and atomic radii of neutral atoms

2017-09-01Artigo científico Acesso aberto
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dc.contributor.authorGuerra, M.
dc.contributor.authorAmaro, P.
dc.contributor.authorSantos, J. P.
dc.contributor.authorIndelicato, P.
dc.contributor.institutionLIBPhys-UNL
dc.contributor.institutionDF – Departamento de Física
dc.contributor.pblElsevier Science B.V., Amsterdam.
dc.date.accessioned2019-05-06T22:15:50Z
dc.date.available2019-05-06T22:15:50Z
dc.date.issued2017-09-01
dc.description
dc.description.abstractCalculations of the effective nuclear charge for elements with 1≤Z≤118 have been performed in a Dirac–Fock approach including all relativistic effects as well as contributions from quantum electrodynamics. Maximum charge density for every subshell of every element in the periodic table was also computed in the same framework as well as atomic radii based on the total charge density. Results were compared with the extensively cited works of Clementi et al., obtained in the 1960s with Roothan's self-consistent-field method.en
dc.description.versionpublished
dc.format.extent19
dc.format.extent552410
dc.identifier.doi10.1016/j.adt.2017.01.001
dc.identifier.issn0092-640X
dc.identifier.otherPURE: 12889373
dc.identifier.otherPURE UUID: 7b23138e-b788-42cb-a09b-80ca56d8e1ea
dc.identifier.otherScopus: 85009754029
dc.identifier.otherWOS: 000407870200005
dc.identifier.otherORCID: /0000-0002-5890-0971/work/64040626
dc.identifier.otherORCID: /0000-0001-6286-4048/work/65024231
dc.identifier.urihttp://www.scopus.com/inward/record.url?scp=85009754029&partnerID=8YFLogxK
dc.identifier.urlhttps://www.scopus.com/pages/publications/85009754029
dc.language.isoeng
dc.peerreviewedyes
dc.relationinfo:eu-repo/grantAgreement/FCT/SFRH/SFRH%2FBPD%2F92455%2F2013/PT
dc.relationinfo:eu-repo/grantAgreement/FCT/SFRH/SFRH%2FBPD%2F92329%2F2013/PT
dc.relationESTUDO DE VIOLAÇÃO DE PARIDADE EM SISTEMAS ATÓMICOS ALTAMENTE IONIZADOS POR MEIO DE DISPERSÃO DE RAYLEIGH E RAMAN
dc.subjectAtomic charge density
dc.subjectAtomic radii
dc.subjectDirac–Fock
dc.subjectEffective nuclear charge
dc.subjectScreening
dc.subjectAtomic and Molecular Physics, and Optics
dc.subjectNuclear and High Energy Physics
dc.titleRelativistic calculations of screening parameters and atomic radii of neutral atomsen
dc.typejournal article
degois.publication.firstPage439
degois.publication.lastPage457
degois.publication.titleAtomic Data And Nuclear Data Tables
degois.publication.volume117-118
dspace.entity.typePublication
oaire.awardNumberSFRH/BPD/92455/2013
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oaire.awardTitleESTUDO DE VIOLAÇÃO DE PARIDADE EM SISTEMAS ATÓMICOS ALTAMENTE IONIZADOS POR MEIO DE DISPERSÃO DE RAYLEIGH E RAMAN
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/SFRH/SFRH%2FBPD%2F92455%2F2013/PT
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oaire.fundingStreamSFRH
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project.funder.identifierhttp://doi.org/10.13039/501100001871
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project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.nameFundação para a Ciência e a Tecnologia
project.funder.nameFundação para a Ciência e a Tecnologia
project.funder.nameFundação para a Ciência e a Tecnologia
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