Logo do repositório
 
Publicação

Multiconfiguration Dirac–Fock calculations of Zn K-shell radiative and nonradiative transitions

2020-01-01Artigo científico Acesso aberto
Ver registo simples
dc.contributor.authorMartins, Luís
dc.contributor.authorAmaro, Pedro
dc.contributor.authorPessanha, Sofia
dc.contributor.authorGuerra, Mauro
dc.contributor.authorMachado, Jorge
dc.contributor.authorCarvalho, Maria Luisa
dc.contributor.authorSantos, José Paulo
dc.contributor.institutionLIBPhys-UNL
dc.contributor.institutionDF – Departamento de Física
dc.contributor.pblJohn Wiley & Sons, Ltd.
dc.date.accessioned2021-11-15T23:32:29Z
dc.date.available2021-11-15T23:32:29Z
dc.date.issued2020-01-01
dc.descriptionAcoes Integradas Luso-Francesas, Acao Ref. TC08-17; Programa Pessoa 2017-2018; EMPIR, Grant/Award Number: 17FUN02 MetroMMC; FCT (Portugal), Grant/Award: SFRH/BPD/94234/2013; FCT, Grant/Award Number: PTDC/FIS-AQM/31969/2017.
dc.description.abstractZinc K-shell radiative and radiationless transition rates are calculated using the multiconfiguration Dirac–Fock method. Correlation up to the 4p orbital is included in almost all transition rate calculations. Calculated radiative transition rates and transition probabilities are compared with Scofield's Dirac–Hartree–Slater and Dirac–Hartree–Fock calculations, presenting good agreement with the later. Radiative transition intensity ratios involving the strongest lines are compared with theoretical, experimental, and empirical-fit values. Most ratios are in close agreement with the empirical-fit values from NIST's Fundamental Parameters database. Calculated radiationless transition rates and ratios are compared with Chen et al.'s Dirac–Fock values and Safronova et al.'s Dirac–Fock values. The K-LL transition rates are overall lower than Chen et al.'s values, whereas the K-LX and K-XY transition rates are overall higher. Calculated K-LX/K-LL and K-XY/K-LL ratios are relatively close to the experimental values compared. Some calculated intensities relative to K-L2(1D2) are in good agreement with the experimental values, whereas others present worse agreement. The calculated fluorescence yield is higher than all theoretical, experimental, and empirical-fitted values compared, probably because the total radiationless transition rate value calculated in the present work is relatively low.en
dc.description.versionpublishersversion
dc.description.versionpublished
dc.format.extent623111
dc.identifier.doi10.1002/xrs.3089
dc.identifier.issn0049-8246
dc.identifier.otherPURE: 15494125
dc.identifier.otherPURE UUID: b99271b8-3402-45dc-97a8-07d1ef8b8ab2
dc.identifier.otherScopus: 85074829956
dc.identifier.otherWOS: 000493040700001
dc.identifier.otherORCID: /0000-0002-5890-0971/work/65023396
dc.identifier.otherORCID: /0000-0001-6286-4048/work/65024215
dc.identifier.otherORCID: /0000-0002-9004-1134/work/65024979
dc.identifier.otherORCID: /0000-0002-6039-2494/work/65025014
dc.identifier.urihttp://hdl.handle.net/10362/127782
dc.identifier.urlhttps://www.scopus.com/pages/publications/85074829956
dc.language.isoeng
dc.peerreviewedyes
dc.relationinfo:eu-repo/grantAgreement/FCT/5876/147413/PT
dc.relationinfo:eu-repo/grantAgreement/FCT/PD/PD%2FBD%2F105919%2F2014/PT
dc.relationX-ray fluorescence using a standardless method
dc.subjectSpectroscopy
dc.titleMulticonfiguration Dirac–Fock calculations of Zn K-shell radiative and nonradiative transitionsen
dc.typejournal article
degois.publication.firstPage192
degois.publication.issue1(SI)
degois.publication.lastPage199
degois.publication.titleX-Ray Spectrometry
degois.publication.volume49
dspace.entity.typePublication
oaire.awardNumberUID/FIS/04559/2013
oaire.awardNumberPD/BD/105919/2014
oaire.awardTitleX-ray fluorescence using a standardless method
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/5876/UID%2FFIS%2F04559%2F2013/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT//PD%2FBD%2F105919%2F2014/PT
oaire.fundingStream5876
project.funder.identifierhttp://doi.org/10.13039/501100001871
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
rcaap.rightsopenAccess
relation.isProjectOfPublicationff4844d0-3a7f-4e81-9b1e-8229f2359736
relation.isProjectOfPublicationf9b3e6ac-e0f3-43f7-9f2a-d6be4543a3a7
relation.isProjectOfPublication.latestForDiscoveryff4844d0-3a7f-4e81-9b1e-8229f2359736

Ficheiros

Principais
A mostrar 1 - 1 de 1
Miniatura
Nome:
xrs3089.pdf
Tamanho:
608.51 KB
Formato:
Adobe Portable Document Format
Ver/Abrir

Coleções

FCT: DF - Artigos em revista internacional com arbitragem científica