Abstract
Large-scale multiconfiguration Dirac–Hartree–Fock calculations are provided for the
n
≤ 5 states in C-like ions from O
iii
to Mg
vii
. Electron correlation effects are accounted for by using ...large configuration state function expansions, built from sets of orbitals with principal quantum numbers
n
≤ 10. An accurate and complete data set of excitation energies, wavelengths, radiative transition parameters, and lifetimes is offered for the 156 (196, 215, 272, 318) lowest states of the 2
s
2
2
p
2
, 2
s
2
p
3
, 2
p
4
, 2
s
2
2
p
3
s
, 2
s
2
2
p
3
p
, 2
s
2
2
p
3
d
, 2
s
2
p
2
3
s
, 2
s
2
p
2
3
p
, 2
s
2
p
2
3
d
, 2
p
3
3
s
, 2
p
3
3
p
, 2
p
3
3
d
, 2
s
2
2
p
4
s
, 2
s
2
2
p
4
p
, 2
s
2
2
p
4
d
, 2
s
2
2
p
4
f
, 2
s
2
p
2
4
s
, 2
s
2
p
2
4
p
, 2
s
2
p
2
4
d
, 2
s
2
p
2
4
f
, 2
s
2
2
p
5
s
, 2
s
2
2
p
5
p
, 2
s
2
2
p
5
d
, 2
s
2
2
p
5
f
, and 2
s
2
2
p
5
g
configurations in O
iii
(F
iv
, Ne
v
, Na
vi
, Mg
vii
). By comparing available experimental wavelengths with the MCDHF results, the previous line identifications for the
n
= 5, 4, 3 →
n
= 2 transitions of Na
vi
in the X-ray and EUV wavelength range are revised. For several previous identifications discrepancies are found, and tentative new (or revised) identifications are proposed. A consistent atomic data set including both energy and transition data with spectroscopic accuracy is provided for the lowest hundreds of states for C-like ions from O
iii
to Mg
vii
.
We present a consistent set of calculated energies and E1, M1, E2, M2 radiative transition data for the main n = 3 levels from the 3s23p4, 3p6, , , , , and configurations for S-like ions from Cr ix ...to Cu xiv. The fully relativistic multiconfiguration Dirac-Hartree-Fock method implemented in the GRASP2K code is used to perform the present calculations. The excitation energies of the lowest 47 levels from the , , and configurations, producing the strongest lines, are found to be in good agreement, reaching spectroscopic accuracy, with the latest experimental values for Fe xi evaluated by Del Zanna. Our energies can reliably be used to identify in astrophysical and laboratory spectra the levels in other S-like ions, which are mostly unknown. On the contrary, significant discrepancies with the 3s3p43d levels were found, emphasizing the need for more detailed experimental studies. A few new tentative identifications are suggested. The benchmarks we present indicate that our consistent set of radiative data is accurate and can be used for spectral line modeling.
Abstract
The multiconfiguration Dirac–Hartree–Fock (MCDHF) and relativistic configuration interaction methods are used to provide excitation energies, lifetimes, and radiative transition data for the ...604 (699, 702, 704, 704, 704, and 699) lowest levels of the 3
s
2
3
p
2
, 3
s
3
p
3
, 3
s
2
3
p
3
d
, 3
p
4
, 3
s
3
p
2
3
d
, 3
s
2
3
d
2
, 3
p
3
3
d
, 3
s
3
p
3
d
2
, 3
s
3
d
3
, 3
p
3
d
3
, 3
p
2
3
d
2
, 3
s
2
3
p
4
s
, 3
s
2
3
p
4
p
, 3
s
2
3
p
4
d
, 3
s
2
3
p
4
f
, 3
s
3
p
2
4
s
, 3
s
3
p
2
4
p
, 3
s
3
p
2
4
d
, 3
s
3
p
2
4
f
, 3
s
2
3
d
4
s
, 3
s
2
3
d
4
p
, 3
p
3
4
s
, 3
p
3
4
p
, 3
s
3
p
3
d
4
s
, 3
s
2
3
p
5
s
, and 3
s
2
3
p
5
p
configurations in Cr
xi
, (Mn
xii
, Fe
xiii
, Co
xiv
, Ni
xv
, Cu
xvi
, and Zn
xvii
). Previous line identifications of Fe
xiii
and Ni
xv
in the EUV and X-ray wavelength ranges are reviewed by comprehensively comparing the MCDHF theoretical results with available experimental data. Many recent identifications of Fe
xiii
and Ni
xv
lines are confirmed, and several new identifications for these two ions are proposed. A consistent atomic data set with spectroscopic accuracy is provided for the lowest hundreds of levels for Si-like ions of iron-group elements of astrophysical interest, for which experimental values are scarce. The uncertainty estimation method suggested by Kramida, applied to the comparison of the length and velocity line strength values, is used for ranking the transition data. The correlation of the latter with the gauge dependency patterns of the line strengths is investigated.
Using the multiconfiguration Dirac-Hartree-Fock and the relativistic configuration interaction methods, a consistent set of transition energies and radiative transition data for the lowest 546 (623, ...701, and 745) states of the , , , , , , , , , , , , , , , and configurations in Mn xi (Fe xii, Co xiii, and Ni xiv) is provided. The comparison between calculated excitation energies for the n = 4 states and available experimental values for Fe xii indicate that the calculations are highly accurate, with uncertainties of only a few hundred cm−1. Lines from these states are prominent in the soft X-rays. With the present calculations, several recent new identifications are confirmed. Other identifications involving levels in Fe xii that were found to be questionable are discussed and a few new assignments are recommended. As some n = 4 states of the other ions also show large discrepancies between experimental and calculated energies, we reassess their identification. The present study provides highly accurate atomic data for the n = 4 states of P-like ions of astrophysical interest, for which experimental data are scarce.
Nuclear charge radii of 62−80Zn have been determined using collinear laser spectroscopy of bunched ion beams at CERN-ISOLDE. The subtle variations of observed charge radii, both within one isotope ...and along the full range of neutron numbers, are found to be well described in terms of the proton excitations across the Z=28 shell gap, as predicted by large-scale shell model calculations. It comprehensively explains the changes in isomer-to-ground state mean square charge radii of 69−79Zn, the inversion of the odd-even staggering around N=40 and the odd-even staggering systematics of the Zn charge radii. With two protons above Z=28, the observed charge radii of the Zn isotopic chain show a cumulative effect of different aspects of nuclear structure including single particle structure, shell closure, correlations and deformations near the proposed doubly magic nuclei, 68Ni and 78Ni.
Collinear laser spectroscopy on Cu58–75 isotopes was performed at the CERN-ISOLDE radioactive ion beam facility. In this paper we report on the isotope shifts obtained from these measurements. ...State-of-the-art atomic physics calculations have been undertaken in order to determine the changes in mean-square charge radii δ⟨r2⟩A,A′ from the observed isotope shifts. A local minimum is observed in these radii differences at N=40, providing evidence for a weak N=40 sub-shell effect. However, comparison of δ⟨r2⟩A,A′ with a droplet model prediction including static deformation deduced from the spectroscopic quadrupole moments, points to the persistence of correlations at N=40.
Multiconfiguration Dirac-Hartree-Fock (MCDHF) calculations and relativistic configuration interaction (RCI) calculations are performed for states of the 3s super(2) 3p super(2), 3s3p super(3) and 3s ...super(2) 3p3d configurations in the Si-like ions Ti IX - Ge XIX, Sr XXV, Zr XXVII and Mo XXIX. Valence and core-valence electron correlation effects are accounted for through large configuration state function expansions. Calculated energy levels are compared with data from other calculations and with experimental data from the reference databases. Lifetime and transition rates along with uncertainty estimations are given for all ions. Energies from the calculations are in excellent agreement with observations and computed wavelength are almost of spectroscopic accuracy, aiding line identification in spectra.
Collinear laser spectroscopy was performed on Zn (Z=30) isotopes at ISOLDE, CERN. The study of hyperfine spectra of nuclei across the Zn isotopic chain, N=33–49, allowed the measurement of nuclear ...spins for the ground and isomeric states in odd-A neutron-rich nuclei up to N=50. Exactly one long-lived (>10 ms) isomeric state has been established in each 69–79Zn isotope. The nuclear magnetic dipole moments and spectroscopic quadrupole moments are well reproduced by large-scale shell–model calculations in the f5pg9 and fpg9d5 model spaces, thus establishing the dominant term in their wave function. The magnetic moment of the intruder Iπ=1/2+ isomer in 79Zn is reproduced only if the νs1/2 orbital is added to the valence space, as realized in the recently developed PFSDG-U interaction. The spin and moments of the low-lying isomeric state in 73Zn suggest a strong onset of deformation at N=43, while the progression towards 79Zn points to the stability of the Z=28 and N=50 shell gaps, supporting the magicity of 78Ni.
Summary
Introduction
The CellaVision Advanced Red Blood Cell (RBC) Software Application is a new software for advanced morphological analysis of RBC, which automatically performs a preliminary ...characterization and grouping of RBC into 21 morphological categories, including schistocytes. Upon automated classification, the software offers the possibility of reclassification of RBC by the operator. The aim of this study was to evaluate the schistocyte analysis by the CellaVision Advanced RBC Application.
Methods
Schistocyte counts were evaluated comparing the automated count on a CellaVision DM96, both before and after reclassification, with the reference manual microscopic method according to the ICSH criteria. Thirty‐six samples of hospitalized patients and 40 samples of controls were analyzed.
Results
Within‐run, between‐run and between‐observer coefficients of variation were lower when counted with the CellaVision compared to the manual microscopic count. The very high sensitivity but rather poor specificity implicates the need for reclassification by the operator, following automated analysis. After reclassification, method comparison studies revealed good agreement with the manual microscopic method, with however slightly higher values of schistocytes for the automated analysis.
Conclusion
The CellaVision Advanced RBC Software Application provides a sensitive and reproducible measurement of schistocytes in peripheral blood, but still requires manual revision. Furthermore, it is an easy‐to‐use software and an excellent teaching tool that might contribute to standardization in the investigation of schistocyte‐related conditions.
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