Multiconfiguration Dirac–Fock calculations of Zn K-shell radiative and nonradiative transitions
| Autor(a) principal: | |
|---|---|
| Data de Publicação: | 2020 |
| Outros Autores: | , , , , , |
| Tipo de documento: | Artigo |
| Idioma: | eng |
| Título da fonte: | Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
| Texto Completo: | http://hdl.handle.net/10362/127782 |
Resumo: | Acoes 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. |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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Multiconfiguration Dirac–Fock calculations of Zn K-shell radiative and nonradiative transitionsSpectroscopyAcoes 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.Zinc 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.LIBPhys-UNLDF – Departamento de FísicaRUNMartins, LuísAmaro, PedroPessanha, SofiaGuerra, MauroMachado, JorgeCarvalho, Maria LuisaSantos, José Paulo2021-11-15T23:32:29Z2020-01-012020-01-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10362/127782eng0049-8246PURE: 15494125https://doi.org/10.1002/xrs.3089info:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2024-03-11T05:07:37Zoai:run.unl.pt:10362/127782Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-20T03:46:12.220795Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse |
| dc.title.none.fl_str_mv |
Multiconfiguration Dirac–Fock calculations of Zn K-shell radiative and nonradiative transitions |
| title |
Multiconfiguration Dirac–Fock calculations of Zn K-shell radiative and nonradiative transitions |
| spellingShingle |
Multiconfiguration Dirac–Fock calculations of Zn K-shell radiative and nonradiative transitions Martins, Luís Spectroscopy |
| title_short |
Multiconfiguration Dirac–Fock calculations of Zn K-shell radiative and nonradiative transitions |
| title_full |
Multiconfiguration Dirac–Fock calculations of Zn K-shell radiative and nonradiative transitions |
| title_fullStr |
Multiconfiguration Dirac–Fock calculations of Zn K-shell radiative and nonradiative transitions |
| title_full_unstemmed |
Multiconfiguration Dirac–Fock calculations of Zn K-shell radiative and nonradiative transitions |
| title_sort |
Multiconfiguration Dirac–Fock calculations of Zn K-shell radiative and nonradiative transitions |
| author |
Martins, Luís |
| author_facet |
Martins, Luís Amaro, Pedro Pessanha, Sofia Guerra, Mauro Machado, Jorge Carvalho, Maria Luisa Santos, José Paulo |
| author_role |
author |
| author2 |
Amaro, Pedro Pessanha, Sofia Guerra, Mauro Machado, Jorge Carvalho, Maria Luisa Santos, José Paulo |
| author2_role |
author author author author author author |
| dc.contributor.none.fl_str_mv |
LIBPhys-UNL DF – Departamento de Física RUN |
| dc.contributor.author.fl_str_mv |
Martins, Luís Amaro, Pedro Pessanha, Sofia Guerra, Mauro Machado, Jorge Carvalho, Maria Luisa Santos, José Paulo |
| dc.subject.por.fl_str_mv |
Spectroscopy |
| topic |
Spectroscopy |
| description |
Acoes 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. |
| publishDate |
2020 |
| dc.date.none.fl_str_mv |
2020-01-01 2020-01-01T00:00:00Z 2021-11-15T23:32:29Z |
| dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
| dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
| format |
article |
| status_str |
publishedVersion |
| dc.identifier.uri.fl_str_mv |
http://hdl.handle.net/10362/127782 |
| url |
http://hdl.handle.net/10362/127782 |
| dc.language.iso.fl_str_mv |
eng |
| language |
eng |
| dc.relation.none.fl_str_mv |
0049-8246 PURE: 15494125 https://doi.org/10.1002/xrs.3089 |
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info:eu-repo/semantics/openAccess |
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openAccess |
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application/pdf |
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reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação instacron:RCAAP |
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Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
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RCAAP |
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RCAAP |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
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1799138066239062016 |