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

doi:10.1002/xrs.3089

Title: Multiconfiguration Dirac–Fock calculations of Zn K‐shell radiative and nonradiative transitions

Authors:

^[1]; Amaro, Pedro ^[1]; Pessanha, Sofia ^[1]; Guerra, Mauro ^[1]; Machado, Jorge ^[1]; Carvalho, Maria Luisa ^[1]; Santos, José Paulo ^[1]

Laboratório de Instrumentação, Engenharia Biomédica e Física da Radiação (LIBPhys‐UNL), Departamento de Física, Faculdade de Ciências e Tecnologia, FCTUniversidade Nova de Lisboa Caparica 2829‐516 Portugal

Publication Date:: 2019-10-29

Sponsoring Org.:: USDOE Office of Nuclear Energy (NE), Fuel Cycle Technologies (NE-5)

OSTI Identifier:: 1572413

Alternate Identifier(s):: OSTI ID: 1572414

Grant/Contract Number:: PTDC/FIS-AQM/31969/2017

Resource Type:: Published Article

Journal Name:: X-Ray Spectrometry, XRS

Additional Journal Information:: Journal Name: X-Ray Spectrometry, XRS; Journal ID: ISSN 0049-8246

Publisher:: Wiley Blackwell (John Wiley & Sons)

Country of Publication:: United Kingdom

Language:: English

Citation Formats


                    Martins, Luís, Amaro, Pedro, Pessanha, Sofia, Guerra, Mauro, Machado, Jorge, Carvalho, Maria Luisa, and Santos, José Paulo. Multiconfiguration Dirac–Fock calculations of Zn K‐shell radiative and nonradiative transitions.  United Kingdom: N. p., 2019. 
        Web.  doi:10.1002/xrs.3089.

Copy to clipboard


                    Martins, Luís, Amaro, Pedro, Pessanha, Sofia, Guerra, Mauro, Machado, Jorge, Carvalho, Maria Luisa, & Santos, José Paulo. Multiconfiguration Dirac–Fock calculations of Zn K‐shell radiative and nonradiative transitions.  United Kingdom.  doi:10.1002/xrs.3089.

Copy to clipboard


                    Martins, Luís, Amaro, Pedro, Pessanha, Sofia, Guerra, Mauro, Machado, Jorge, Carvalho, Maria Luisa, and Santos, José Paulo. Tue .  
        "Multiconfiguration Dirac–Fock calculations of Zn K‐shell radiative and nonradiative transitions".  United Kingdom.  doi:10.1002/xrs.3089.

Copy to clipboard


                    
@article{osti_1572413,

  title        = {Multiconfiguration Dirac–Fock calculations of Zn K‐shell radiative and nonradiative transitions},

  author       = {Martins, Luís and Amaro, Pedro and Pessanha, Sofia and Guerra, Mauro and Machado, Jorge and Carvalho, Maria Luisa and Santos, José Paulo},

  abstractNote = {},

  doi          = {10.1002/xrs.3089},

  journal      = {X-Ray Spectrometry, XRS},

  number       = ,

  volume       = ,

  place        = {United Kingdom},

  year         = {2019},

  month        = {10}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Publisher's Version of Record
DOI: 10.1002/xrs.3089

Other availability

Search WorldCat to find libraries that may hold this journal

Save / Share:

Export Metadata

Save to My Library

Works referenced in this record:

K-shell X-ray fluorescence cross-sections and intensity ratios for some pure metals at 59.5 and 123.6keV
journal, September 2007

Cevik, U.; Kaya, S.; Ertugral, B.
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 262, Issue 2
DOI: 10.1016/j.nimb.2007.06.007

AUGER RATES FOR Ni-, Cu-, AND Zn-LIKE IONS
journal, March 2001

Safronova, U. I.; Johnson, W. R.; Albritton, J. R.
Atomic Data and Nuclear Data Tables, Vol. 77, Issue 2
DOI: 10.1006/adnd.2000.0855

K /K X-ray intensity ratios for elements in the range 16⩽Z⩽92 excited by 5.9, 59.5 and 123.6 keV photons
journal, January 2007

Ertuğral, B.; Apaydın, G.; Çevik, U.
Radiation Physics and Chemistry, Vol. 76, Issue 1
DOI: 10.1016/j.radphyschem.2006.04.003

Measurement of relative K X-ray intensity ratio following radioactive decay and photoionization
journal, January 2007

Yalçın, P.
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 254, Issue 2
DOI: 10.1016/j.nimb.2006.11.051

Atomic radiative and radiationless yields for K and L shells
journal, April 1979

Krause, M. O.
Journal of Physical and Chemical Reference Data, Vol. 8, Issue 2
DOI: 10.1063/1.555594

A multiconfiguration relativistic DIRAC-FOCK program
journal, January 1975

Desclaux, J. P.
Computer Physics Communications, Vol. 9, Issue 1
DOI: 10.1016/0010-4655(75)90054-5

Measurement of Kβ/Kα intensity ratios for elements in the range 22⩽ Z ⩽69 at 59.5 keV
journal, February 2001

Ertugrul, M.; Sögüt, Ö; Simsek, Ö
Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 34, Issue 5
DOI: 10.1088/0953-4075/34/5/316

Relativistic $K$ -shell Auger rates, level widths, and fluorescence yields
journal, February 1980

Chen, Mau Hsuing; Crasemann, Bernd; Mark, Hans
Physical Review A, Vol. 21, Issue 2
DOI: 10.1103/PhysRevA.21.436

Effect of $p$ H treatment on $K$ -shell x-ray intensity ratios and $K$ -shell x-ray-production cross sections in ZnCo alloys
journal, October 2011

Kup Aylikci, N.; Aylikci, V.; Kahoul, A.
Physical Review A, Vol. 84, Issue 4
DOI: 10.1103/PhysRevA.84.042509

Etude des electrons Auger-K emis par le zinc 65
journal, April 1957

Bellicard, J. B.; Moussa, A.; Haynes, S. K.
Nuclear Physics, Vol. 3, Issue 2
DOI: 10.1016/0029-5582(57)90117-7

K-shell fluorescence parameters of medium-Z elements
journal, December 2003

Gudennavar, S. B.; Badiger, N. M.; Thontadarya, S. R.
Radiation Physics and Chemistry, Vol. 68, Issue 5
DOI: 10.1016/S0969-806X(03)00387-6

Measurement of K shell fluorescence yields of some elements in the atomic range 22⩽Z⩽30 using photoionisation
journal, May 2000

Şimşek, Önder; Doğan, Oğuz; Turgut, Ümit
Radiation Physics and Chemistry, Vol. 58, Issue 3
DOI: 10.1016/S0969-806X(99)00382-5

Updated database and new empirical values for K-shell fluorescence yields
journal, July 2012

Kahoul, A.; Aylikci, V.; Aylikci, N. Kup
Radiation Physics and Chemistry, Vol. 81, Issue 7
DOI: 10.1016/j.radphyschem.2012.03.006

Internal Conversion, Multipole Mixing, and Auger Spectrum in ${Zn}^{67}$ from ${Ga}^{67}$ Decay
journal, November 1966

Freedman, Melvin S.; Porter, Fred T.; Wagner, Frank
Physical Review, Vol. 151, Issue 3
DOI: 10.1103/PhysRev.151.886

Relativistic radiationless transition probabilities for atomic K- and L-shells
journal, July 1979

Chen, Mau Hsiung; Crasemann, Bernd; Mark, Hans
Atomic Data and Nuclear Data Tables, Vol. 24, Issue 1
DOI: 10.1016/0092-640X(79)90037-8

Measurement of K X-ray fluorescence cross-sections, fluorescence yields and intensity ratios for some elements in the atomic range 22⩽Z⩽68
journal, June 2007

Han, I.; Şahin, M.; Demir, L.
Applied Radiation and Isotopes, Vol. 65, Issue 6
DOI: 10.1016/j.apradiso.2007.01.009

Measurement of K-shell fluorescence yields for the elements in the range 22⩽Z⩽52 excited by 14.4 and 122keV photons
journal, November 2005

Yashoda, T.; Krishnaveni, S.; Gowda, Ramakrishna
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 240, Issue 3
DOI: 10.1016/j.nimb.2005.04.129

Alloying effect on K shell X-ray fluorescence parameters and radiative Auger ratios of Co and Zn in ZnxCo1−x alloys
journal, January 2010

Aylikci, N. Kup; Tiraşoğlu, E.; Karahan, İ. H.
Chemical Physics Letters, Vol. 484, Issue 4-6
DOI: 10.1016/j.cplett.2009.11.036

Measurement of K shell radiative transition probabilities and K, L2 and L3 shell/subshell fluorescence yields of some elements in the atomic number range 30 ≤ Z ≤ 40
journal, March 2002

Ertugrul, Mehmet
Analytica Chimica Acta, Vol. 454, Issue 2
DOI: 10.1016/S0003-2670(01)01554-9

The investigation of K-shell fluorescence parameters of Zn-Fe alloys with different grain size and microstrain values: The investigation of K-shell fluorescence parameters
journal, March 2017

Kup Aylikci, N.; Sampaio, J. M.; Kahoul, A.
X-Ray Spectrometry, Vol. 46, Issue 4
DOI: 10.1002/xrs.2763

New K-shell fluorescence yields curve for elements with 3 ≤ Z ≤ 99
journal, November 2015

Daoudi, Salim; Kahoul, Abdelhalim; Sahnoune, Yassine
Journal of the Korean Physical Society, Vol. 67, Issue 9
DOI: 10.3938/jkps.67.1537

Determination of ratios of emission probabilities of Auger electrons and K–L-shell radiative vacancy transfer probabilities for 17 elements from Mn to Mo at 59.5keV
journal, January 2006

Öz, Elif
Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 97, Issue 1
DOI: 10.1016/j.jqsrt.2004.12.016

Measurement of K-shell fluorescence cross-sections and yields of 14 elements in the atomic number range 25⩽Z⩽47 using photoionization
journal, April 2001

Durak, Rιdvan; Özdemır, Yüksel
Radiation Physics and Chemistry, Vol. 61, Issue 1
DOI: 10.1016/S0969-806X(00)00353-4

A new atomic database for X-ray spectroscopic calculations
journal, February 2002

Elam, W. T.; Ravel, B. D.; Sieber, J. R.
Radiation Physics and Chemistry, Vol. 63, Issue 2
DOI: 10.1016/S0969-806X(01)00227-4

Exchange corrections of $K$ x-ray emission rates
journal, March 1974

Scofield, James H.
Physical Review A, Vol. 9, Issue 3
DOI: 10.1103/PhysRevA.9.1041

Experimental K and L relative x-ray emission ratess
journal, August 1974

Salem, S. I.; Panossian, S. L.; Krause, R. A.
Atomic Data and Nuclear Data Tables, Vol. 14, Issue 2
DOI: 10.1016/S0092-640X(74)80017-3

Relativistic hartree-slater values for K and L X-ray emission rates
journal, August 1974

Scofield, James H.
Atomic Data and Nuclear Data Tables, Vol. 14, Issue 2
DOI: 10.1016/S0092-640X(74)80019-7

Mass attenuation coefficients in the range , K fluorescence yield and relative X-ray emission rate for Ti, V, Fe, Co, Ni, Cu and Zn measured with a tunable monochromatic X-ray source
journal, August 2010

Ménesguen, Y.; Lépy, M. -C.
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 268, Issue 16
DOI: 10.1016/j.nimb.2010.05.044

Chemical-effect variation of Kβ/Kα X-ray intensity ratios in 3d elements
journal, August 2002

Sogut, Omer; Büyükkasap, Erdoğan; Erdoğan, Hasan
Radiation Physics and Chemistry, Vol. 64, Issue 5-6
DOI: 10.1016/S0969-806X(01)00644-2

X-Ray Fluorescence Yields, Auger, and Coster-Kronig Transition Probabilities
journal, October 1972

Bambynek, Walter; Crasemann, Bernd; Fink, R. W.
Reviews of Modern Physics, Vol. 44, Issue 4
DOI: 10.1103/RevModPhys.44.716

Similar records in OSTI.GOV collections:

Diagram, valence-to-core, and hypersatellite K β X-ray transitions in metallic chromium

Journal Article Zeeshan, Faisal ; Hoszowska, Joanna ; Dousse, Jean-Claude ; ... - X-Ray Spectrometry, XRS

Here, we identify measurements of the K β diagram, valence-to-core (VtC), and hypersatellite X-ray spectra induced in metallic Cr by photon single and double K-shell ionization. The experiment was carried out at the Stanford Synchrotron Radiation Lightsource using the seven-crystal Johann-type hard X-ray spectrometer of the beamline 6-2. For the K β diagram and VtC transitions, the present study confirms the line shape features observed in previous works, whereas the K ^h β hypersatellite transition was found to exhibit a complex spectral line shape and a characteristic low-energy shoulder. The energy shift of the hypersatellite relative to the parent diagrammore »« less
DOI: 10.1002/xrs.3019

Full Text Available
{ital K}{alpha} hypersatellite lines of medium-mass atoms induced by 100-MeV {sup 4}He{sup 2+} ions

Journal Article Boschung, B. ; Dousse, J. ; Galley, B. ; ... - Physical Review A

The radiative decay of double {ital K}-shell vacancies in zirconium ({ital Z}=40), molybdenum ({ital Z}=42), and palladium ({ital Z}=46) was observed using a high-resolution transmission crystal spectrometer. The samples were ionized by the impact of 100-MeV {sup 4}He{sup 2+} ions. From the well resolved {ital K}{sup {minus}2}{r_arrow}{ital K}{sup {minus}1}{ital L}{sup {minus}1} transitions, the energies, linewidths, intensity ratios, and double {ital K}-shell ionization cross sections were deduced. The experimental energies and linewidths of the hypersatellites are compared with results of Dirac-Hartree-Slater calculations and with multiconfiguration-Dirac-Fock calculations, both taking into account the Breit interaction. For the extracted double {ital K}-shell ionization crossmore »« less
DOI: 10.1103/PhysRevA.51.3650
Wavelengths, transition probabilities, and oscillator strengths for M-shell transitions in Co-, Ni-, Cu-, Zn-, Ga-, Ge-, and Se-like Au ions

Journal Article Xu, Min ; College of Electrical and Information Engineering, Southwest University for Nationalities, Chengdu 610041, Sichuan ; Jiang, Gang, E-mail: gjiang@scu.edu.cn ; ... - Atomic Data and Nuclear Data Tables

Wavelengths, transition probabilities, and oscillator strengths have been calculated for M-shell electric dipole transitions in Co-, Ni-, Cu-, Zn-, Ga-, Ge-, and Se-like Au ions. The fully relativistic multiconfiguration Dirac–Fock method, taking quantum electrodynamical effects and the Breit correction into account, was used in the calculations. Calculated energy levels of M-shell excited states for Cu-, Zn-, Ga-, Ge-, and Se-like Au ions from the method were compared with available theoretical and experimental results, and good agreement with them was achieved.
DOI: 10.1016/J.ADT.2014.05.002
Polarization transfer in the inner-shell photoionization of sodiumlike ions

Journal Article Sharma, L. ; Surzhykov, A. ; GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, Planckstrasse 1, DE-64291 Darmstadt ; ... - Physical Review. A

The inner-shell photoionization of highly charged ions is studied, together with their subsequent radiative decay, within the framework of the density matrix theory and the multiconfiguration Dirac-Fock (MCDF) approach. For the subsequent radiative decay of the ions, we investigate in particular how the linear polarization of characteristic radiation is affected if the incident light is itself polarized. Detailed calculations are performed for the 2p{sup 5}3s{yields}2p{sup 6} radiative transitions following the production of a 2p vacancy in the sodiumlike Fe{sup 15+}, W{sup 63+}, and U{sup 81+} ions. From these calculations, it is shown that the (degree of) linear polarization of themore »« less
DOI: 10.1103/PHYSREVA.81.023419
Radiative one- and two-electron transitions into the empty K shell of He-like ions

Journal Article Kadrekar, Riddhi ; Natarajan, L. - Physical Review. A

The branching ratios between the single and double electron radiative transitions to empty K shell in He-like ions with 2s2p configuration are evaluated for 15 ions with 4{<=}Z{<=}26 using fully relativistic multiconfiguration Dirac-Fock wavefunctions in the active space approximation. The effects of configuration interaction and Breit contributions on the transition parameters have been analyzed in detail. Though the influence of Breit interaction on the electric dipole allowed one-electron radiative transitions is negligible, it substantially changes the spin-forbidden rates and the two-electron one-photon transition probabilities. Also, while the single electron transition rates are gauge independent, the correlated double-electron probabilities are foundmore »« less
DOI: 10.1103/PHYSREVA.84.062506

Similar Records

Title: Multiconfiguration Dirac–Fock calculations of Zn K‐shell radiative and nonradiative transitions

Citation Formats

K-shell X-ray fluorescence cross-sections and intensity ratios for some pure metals at 59.5 and 123.6keV journal, September 2007

AUGER RATES FOR Ni-, Cu-, AND Zn-LIKE IONS journal, March 2001

K /K X-ray intensity ratios for elements in the range 16⩽Z⩽92 excited by 5.9, 59.5 and 123.6 keV photons journal, January 2007

Measurement of relative K X-ray intensity ratio following radioactive decay and photoionization journal, January 2007

Atomic radiative and radiationless yields for K and L shells journal, April 1979

A multiconfiguration relativistic DIRAC-FOCK program journal, January 1975

Measurement of Kβ/Kα intensity ratios for elements in the range 22⩽ Z ⩽69 at 59.5 keV journal, February 2001

Relativistic K -shell Auger rates, level widths, and fluorescence yields journal, February 1980

Effect of p H treatment on K -shell x-ray intensity ratios and K -shell x-ray-production cross sections in ZnCo alloys journal, October 2011

Etude des electrons Auger-K emis par le zinc 65 journal, April 1957

K-shell fluorescence parameters of medium-Z elements journal, December 2003

Measurement of K shell fluorescence yields of some elements in the atomic range 22⩽Z⩽30 using photoionisation journal, May 2000

Updated database and new empirical values for K-shell fluorescence yields journal, July 2012

Internal Conversion, Multipole Mixing, and Auger Spectrum in Zn 67 from Ga 67 Decay journal, November 1966

Relativistic radiationless transition probabilities for atomic K- and L-shells journal, July 1979

Measurement of K X-ray fluorescence cross-sections, fluorescence yields and intensity ratios for some elements in the atomic range 22⩽Z⩽68 journal, June 2007

Measurement of K-shell fluorescence yields for the elements in the range 22⩽Z⩽52 excited by 14.4 and 122keV photons journal, November 2005

Alloying effect on K shell X-ray fluorescence parameters and radiative Auger ratios of Co and Zn in ZnxCo1−x alloys journal, January 2010

Measurement of K shell radiative transition probabilities and K, L2 and L3 shell/subshell fluorescence yields of some elements in the atomic number range 30 ≤ Z ≤ 40 journal, March 2002

The investigation of K-shell fluorescence parameters of Zn-Fe alloys with different grain size and microstrain values: The investigation of K-shell fluorescence parameters journal, March 2017

New K-shell fluorescence yields curve for elements with 3 ≤ Z ≤ 99 journal, November 2015

Determination of ratios of emission probabilities of Auger electrons and K–L-shell radiative vacancy transfer probabilities for 17 elements from Mn to Mo at 59.5keV journal, January 2006

Measurement of K-shell fluorescence cross-sections and yields of 14 elements in the atomic number range 25⩽Z⩽47 using photoionization journal, April 2001

A new atomic database for X-ray spectroscopic calculations journal, February 2002

Exchange corrections of K x-ray emission rates journal, March 1974

Experimental K and L relative x-ray emission ratess journal, August 1974

Relativistic hartree-slater values for K and L X-ray emission rates journal, August 1974

Mass attenuation coefficients in the range , K fluorescence yield and relative X-ray emission rate for Ti, V, Fe, Co, Ni, Cu and Zn measured with a tunable monochromatic X-ray source journal, August 2010

Chemical-effect variation of Kβ/Kα X-ray intensity ratios in 3d elements journal, August 2002

X-Ray Fluorescence Yields, Auger, and Coster-Kronig Transition Probabilities journal, October 1972

K-shell X-ray fluorescence cross-sections and intensity ratios for some pure metals at 59.5 and 123.6keV
journal, September 2007

AUGER RATES FOR Ni-, Cu-, AND Zn-LIKE IONS
journal, March 2001

K /K X-ray intensity ratios for elements in the range 16⩽Z⩽92 excited by 5.9, 59.5 and 123.6 keV photons
journal, January 2007

Measurement of relative K X-ray intensity ratio following radioactive decay and photoionization
journal, January 2007

Atomic radiative and radiationless yields for K and L shells
journal, April 1979

A multiconfiguration relativistic DIRAC-FOCK program
journal, January 1975

Measurement of Kβ/Kα intensity ratios for elements in the range 22⩽ Z ⩽69 at 59.5 keV
journal, February 2001

Relativistic $K$ -shell Auger rates, level widths, and fluorescence yields
journal, February 1980

Effect of $p$ H treatment on $K$ -shell x-ray intensity ratios and $K$ -shell x-ray-production cross sections in ZnCo alloys
journal, October 2011

Etude des electrons Auger-K emis par le zinc 65
journal, April 1957

K-shell fluorescence parameters of medium-Z elements
journal, December 2003

Measurement of K shell fluorescence yields of some elements in the atomic range 22⩽Z⩽30 using photoionisation
journal, May 2000

Updated database and new empirical values for K-shell fluorescence yields
journal, July 2012

Internal Conversion, Multipole Mixing, and Auger Spectrum in ${Zn}^{67}$ from ${Ga}^{67}$ Decay
journal, November 1966

Relativistic radiationless transition probabilities for atomic K- and L-shells
journal, July 1979

Measurement of K X-ray fluorescence cross-sections, fluorescence yields and intensity ratios for some elements in the atomic range 22⩽Z⩽68
journal, June 2007

Measurement of K-shell fluorescence yields for the elements in the range 22⩽Z⩽52 excited by 14.4 and 122keV photons
journal, November 2005

Alloying effect on K shell X-ray fluorescence parameters and radiative Auger ratios of Co and Zn in ZnxCo1−x alloys
journal, January 2010

Measurement of K shell radiative transition probabilities and K, L2 and L3 shell/subshell fluorescence yields of some elements in the atomic number range 30 ≤ Z ≤ 40
journal, March 2002

The investigation of K-shell fluorescence parameters of Zn-Fe alloys with different grain size and microstrain values: The investigation of K-shell fluorescence parameters
journal, March 2017

New K-shell fluorescence yields curve for elements with 3 ≤ Z ≤ 99
journal, November 2015

Determination of ratios of emission probabilities of Auger electrons and K–L-shell radiative vacancy transfer probabilities for 17 elements from Mn to Mo at 59.5keV
journal, January 2006

Measurement of K-shell fluorescence cross-sections and yields of 14 elements in the atomic number range 25⩽Z⩽47 using photoionization
journal, April 2001

A new atomic database for X-ray spectroscopic calculations
journal, February 2002

Exchange corrections of $K$ x-ray emission rates
journal, March 1974

Experimental K and L relative x-ray emission ratess
journal, August 1974

Relativistic hartree-slater values for K and L X-ray emission rates
journal, August 1974

Mass attenuation coefficients in the range , K fluorescence yield and relative X-ray emission rate for Ti, V, Fe, Co, Ni, Cu and Zn measured with a tunable monochromatic X-ray source
journal, August 2010

Chemical-effect variation of Kβ/Kα X-ray intensity ratios in 3d elements
journal, August 2002

X-Ray Fluorescence Yields, Auger, and Coster-Kronig Transition Probabilities
journal, October 1972