| 1. |
- Song, C X, et al.
(författare)
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Isotope shifts in electron affinities and in binding energies of Pb and hyperfine structure of 207Pb
- 2024
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Ingår i: Journal of Chemical Physics. - : American Institute of Physics (AIP). - 0021-9606 .- 1089-7690. ; 160:21
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Tidskriftsartikel (refereegranskat)abstract
- The isotope shifts in electron affinities of Pb were measured by Walter et al. [Phys. Rev. A 106, L010801 (2022)] to be -0.002(4) meV for 207-208Pb and -0.003(4) meV for 206-208Pb by scanning the threshold of the photodetachment channel Pb-(S3/2◦4) - Pb (3P0), while Chen and Ning reported 0.015(25) and -0.050(22) meV for the isotope shifts on the binding energies measured relative to 3P2 using the SEVI method [J. Chem. Phys. 145, 084303 (2016)]. Here we revisited these isotope shifts by using our second-generation SEVI spectrometer and obtained -0.001(15) meV for 207-208Pb and -0.001(14) meV for 206-208Pb, respectively. In order to aid the experiment by theory, we performed the first ab initio theoretical calculations of isotope shifts in electron affinities and binding energies of Pb, as well as the hyperfine structure of 207Pb-, by using the MCDHF and RCI methods. The isotope shifts in electron affinities of 207-208Pb and 206-208Pb are -0.0023(8) and -0.0037(13) meV for the 3P0 channel, respectively, in good agreement with Walter et al.'s measurements. The isotope shifts in binding energies relative to 3P1,2, -0.0015(8) and -0.0026(13) meV for 207-208Pb and 206-208Pb, respectively, are compatible with the present measurements. The hyperfine constant for the ground state of 207Pb- obtained by the present calculations, A(S3/2◦4)=-1118 MHz, differs by a factor of 3 from the previous estimation by Bresteau et al. [J. Phys. B: At., Mol. Opt. Phys. 52, 065001 (2019)]. The reliability is supported by the good agreement between the theoretical and experimental hyperfine parameters of 209Bi.
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| 2. |
- Song, C. X., et al.
(författare)
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Extended calculations with spectroscopic accuracy : Energy levels and radiative rates for O-like ions between Ar XI and Cr XVII
- 2021
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Ingår i: Atomic Data and Nuclear Data Tables. - : Elsevier. - 0092-640X .- 1090-2090. ; 138
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Tidskriftsartikel (refereegranskat)abstract
- Using the multiconfiguration Dirac-Hartree-Fock and the relativistic configuration interaction methods, a consistent set of transition energies and radiative transition data for the main states of the 2s(2)2p(4), 2s2p(5), 2p(6), 2s(2)2p(3)3s, 2s(2)2p(3)3p, 2s(2)2p(3)3d, 2s2p(4)3s, 2s2p(4)3p, and 2s2p(4)3d configurations in O-like Ions between Ar XI (Z = 18) and Cr XVII (Z = 24) is provided. Our data set is compared with the NIST compiled values and previous calculations. The data are accurate enough for identification and deblending of new emission lines from hot astrophysical and laboratory plasmas. The amount of data of high accuracy is significantly increased for the n = 3 states of several O-like ions, where experimental data are very scarce. (c) 2020 Elsevier Inc. All rights reserved.
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| 3. |
- Song, C.X., et al.
(författare)
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Large-scale multiconfiguration Dirac-Hartree-Fock calculations for astrophysics : n=4 levels in P-like ions from Mn XIto Ni XIV
- 2020
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Ingår i: Astrophysical Journal Supplement Series. - : Institute of Physics (IOP). - 0067-0049 .- 1538-4365. ; 247:70, s. 1-11
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Tidskriftsartikel (refereegranskat)abstract
- 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.
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| 4. |
- Wang, K., et al.
(författare)
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Benchmarking Atomic Data from Large-scale Multiconfiguration Dirac Hartree Fock Calculations for Astrophysics : S-like Ions from Cr IX to Cu XIV
- 2018
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Ingår i: Astrophysical Journal Supplement Series. - : Bibliopolis, Edizioni di Filosofia e Scienze. - 0067-0049 .- 1538-4365. ; 239:2
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Tidskriftsartikel (refereegranskat)abstract
- We present a consistent set of calculated energies and El, Ml, E2, M2 radiative transition data for the main n = 3 levels from the 3s(2)3p(4), 3p(6), 3s3p(4)3d, 3s(2)3p(2)3d(2), 3s3p(5), 3s(2)3p(3)3d, and 3s3p(3)3d(2) configurations for S-like ions from Cr TX 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 3s(2)3p(4), 3s3p(5), and 3s(2)3p3 3d 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 3s(2)3p(3) 3d levels in other S-like ions, which are mostly unknown. On the contrary, significant discrepancies with the 3s3p(4)3d 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.
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