Theoretical simulation of the x-ray spectra of multiply ionized heavy atoms: The Kα<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mrow><mml:mi>L</mml:mi></mml:mrow><mml:mrow><mml:mi>n</mml:mi></mml:mrow></mml:msup></mml:mrow></mml:math>spectra of molybdenum

Polasik, M.

doi:10.1103/physreva.39.5092

Cited by 44 publications

(30 citation statements)

References 12 publications

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“…Our purpose has been to provide a universal characteristic of the natural shape of the spectra, which could be experimentally obtained with an ideal instrument. It has been shown [33,37,38] that the theoretical spectra after the convolution of the sum of the Lorentzian natural line shapes with the Gaussian instrumental response (the latter depending on the equipment used) are in an excellent agreement with the spectra measured with any kind of high-resolution instrument. Our theoretical spectra are also close to the experimental ones and including the instrumental response in our simulation would generally only smooth the shapes of the spectra.…”

Section: A Kl 1 Satellite Line Structurementioning

confidence: 77%

“…In his first study concerning the x-ray spectra of multiply ionized atoms [32] multiconfiguration Dirac-Fock (MCDF) calculations with the inclusion of the transverse (Breit) interaction, selfenergy, and vacuum polarization corrections were performed for Pd in order to elucidate the structure of the K␣ 1,2 L n M 0 satellite lines in its x-ray spectra (where in the symbols of the KL n M r type n and r indicate the number of the L-and M-shell holes, respectively, in the initial state). The measurement of the high-resolution x-ray spectra of Mo [23] inspired Polasik to carry out a theoretical simulation of these spectra using a model in which a spectrum was represented as a sum of the bands (which were the convolution of the sum of the Lorentzian natural line shapes with the Gaussian instrumental response) resulting from the transitions of the K␣ 1,2 L n M 0 type [33]. The effect of the M-shell ionization was taken into account in a crude way by simply shifting a spectrum towards higher energies and applying larger Gaussian linewidths.…”

Section: Introductionmentioning

confidence: 99%

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Structure of variousKL1x-ray satellite lines of heavy atoms

Polasik

Lewandowska-Robak

2004

Phys. Rev. A

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Multiconfiguration Dirac-Fock calculations with the inclusion of the transverse (Breit) interaction and QED corrections have been carried out for Pd, Sn, Tb, Ta, Pb, and Th in order to obtain positions and intensities of various electric dipole, electric quadrupole, and magnetic dipole K x-ray diagram lines and of their KL 1 satellites. Theoretically constructed stick spectra have been presented together with synthesized spectra (the sum of the Lorentzian natural line shapes) for each studied element. Taking into account the existence of an L-shell hole in the 2s or 2p subshell, the effect of additional L-shell ionization on the shapes and structure of the K x-ray spectra has been examined. It has been observed that generally with increasing atomic number Z the shapes of particular satellite line groups tend to become smoother and to differ less from the shapes of appropriate diagram lines. Relations between the values of energy shifts of various satellite lines for each element and the changes of these relations with Z have also been studied. Additionally, the relations between the intensities of different diagram lines for each element have been systematically analyzed, likewise the changes with Z of the role of particular diagram lines. This study can be helpful in reliable and quantitative interpretation of many experimental K x-ray spectra of Pd, Sn, Tb, Ta, Pb, and Th induced in collisions with various projectiles.

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Section: A Kl 1 Satellite Line Structurementioning

confidence: 77%

Section: Introductionmentioning

confidence: 99%

Structure of variousKL1x-ray satellite lines of heavy atoms

Polasik

Lewandowska-Robak

2004

Phys. Rev. A

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“…Theoretical predictions of the shape of the Kβ 1,3 x-ray diagram and satellite lines have been performed using the multiconfiguration Dirac-Fock (MCDF) method, which is the primary theoretical tool applied in atomic physics. Thanks to the ease of performing large-scale calculations, it is even possible to include electron correlations [22][23][24][25][26][27][28][29] to a large extent. The MCDF method allows for the determination of many of the significant atomic parameters, such as the structure of the energy levels and the level widths corresponding to the studied transitions.…”

Section: A Relativistic Mcdf Calculationsmentioning

confidence: 99%

“…The MCDF method is described in detail in many papers [22][23][24][25][26][27][28][29]. The approximate relativistic Hamiltonian for an Nelectron atom is taken in the form…”

Section: A Relativistic Mcdf Calculationsmentioning

confidence: 99%

Structure of high-resolution Kβ1,3 x-ray emission spectra for the elements from Ca to Ge

Ito

Tochio

Yamashita³

et al. 2018

Phys. Rev. A

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The Kβ x-ray spectra of the elements from Ca to Ge have been systematically investigated using a highresolution antiparallel double-crystal x-ray spectrometer. Each Kβ 1,3 natural linewidth has been corrected using the instrumental function of this type of x-ray spectrometer, and the spin doublet energies have been obtained from the peak position values in Kβ 1,3 x-ray spectra. For all studied elements the corrected Kβ 1 x-ray lines FWHM increase linearly as a function of Z. However, for Kβ 3 x-ray lines this dependence is generally not linear in the case of 3d elements but increases from Sc to Co elements. It has been found that the contributions of satellite lines are considered to be [KM] shake processes. Our theoretically predicted synthetic spectra of Ca, Mn, Cu, and Zn are in very good agreement with our high-resolution measurements, except in the case of Mn, due to the open-shell valence configuration effect (more than 7000 transitions for diagram lines and more than 100 000 transitions for satellite lines) and the influence of the complicated structure of the metallic Mn.

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“…The red line marked NDU was computed for us by Johnson 29 with a code developed at Notre Dame University (NDU). The black line marked NCU comes from the GRASP code 11,12 in a form extensively used by one of us (Polasik 13,30,31 ) at Nicolaus Copernicus University (NCU). For the unionized atom, this code finds the energy of Ir's Ka 2 line as 63 286.96 eV, a new result that differs only $0:4 eV from the experimental value quoted in Table I, and is well within its $1 eV standard deviation: it supersedes the best theoretical value available in 2003, 26 probably computed with one of the codes mentioned.…”

Section: A Iridium's Ka Lines and Lutetium's K-edgementioning

confidence: 99%

Near-coincident K-line and K-edge energies as ionization diagnostics for some high atomic number plasmas

Pereira¹,

Weber

Phipps

et al. 2012

Physics of Plasmas

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For some high atomic number atoms, the energy of the K-edge is tens of eVs higher than the K-line energy of another atom, so that a few eV increase in the line's energy results in a decreasing transmission of the x-ray through a filter of the matching material. The transmission of cold iridium's ' 63:287 keV Ka 2 line through a lutetium filter is 7% lower when emitted by ionized iridium, consistent with an energy increase of De ' 1061 eV associated with the ionization. Likewise, the transmission of the Kb 1 line of ytterbium through a near-coincident K-edge filter changes depending on plasma parameters that should affect the ionization. Systematic exploration of filter-line pairs like these could become a unique tool for diagnostics of suitable high energy density plasmas. V C 2012 American Institute of Physics. [http://dx.

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Theoretical simulation of the x-ray spectra of multiply ionized heavy atoms: The KαLnspectra of molybdenum

Cited by 44 publications

References 12 publications

Structure of variousKL1x-ray satellite lines of heavy atoms

Structure of variousKL1x-ray satellite lines of heavy atoms

Structure of high-resolution Kβ1,3 x-ray emission spectra for the elements from Ca to Ge

Near-coincident K-line and K-edge energies as ionization diagnostics for some high atomic number plasmas

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