Multi-configuration Dirac–Hartree–Fock calculations of forbidden transitions within the 3dk ground configurations of highly charged ions (

Zhiling Zhao

¹

,

Kai Wang

²

,

S. Li

³

et al.

Abstract

Extensive self-consistent multi-configuration Dirac-Hartree-Fock (MCDHF) calculations are performed for the 3s 2 3p 6 3d k (k = 1 − 9) ground configurations of highly charged ions (Z = 72 − 83). Complete and consistent data sets of excitation energies, wavelengths, line strengths, oscillator strengths, and magnetic dipole (M1) and electric quadrupole (E2) transition rates among all these levels are given. We have compared our results with the results available in the literature and the accuracy of the data is assessed. We predict new energy levels and transition probabilities where no other experimental or theoretical results are available, which will form the basis for future experimental work.

Benchmarking calculations with spectroscopic accuracy of excitation energies and wavelengths in sulfur-like tungsten

“…For S-like W 58+ , Cl-like W 57+ and Ar-like W 56+ , the MR spaces include the following configurations {3s 2 3p k−2 , 3s 2 3p k−3 3d, 3s 2 3p k−4 3d 2 , 3s 2 3p k−5 3d 3 , 3s3p k−2 3d, 3s3p k−3 3d 2 , 3s3p k−4 3d 3 } with k = 6, 7 and 8, respectively. Additional configurations that differ from one ion to another complete these MR spaces: {3p 4 3d 2 , 3p 5 3d, 3p 6 } for S-like W 58+ , {3p 4 3d 3 , 3s3p 6 , 3s3p 2 3d 4 } for Cl-like W 57+ , and {3s 2 3p 2 3d 4 } for Ar-like W 56+ . The CSF expansions are generated by allowing single (S) and double (D) excitations of all the n = 3 electrons, namely valence electrons, from all MR configurations to orbitals with n ≤ 7, l ≤ 5 (i. e., up to h-orbital symmetry).…”

“…Motivated by the potential use in plasma diagnostics in the future tokamak fusion reactor ITER, M-shell W 56+ − W 61+ tungsten ions are at present subject of extensive research [1][2][3][4][5][6][7]. Tungsten ions can be transported from the relatively cold divertor region to the plasma core with temperatures on the order of 20 keV, and ionize to M-shell charge states, which are expected to strongly emit in the x-ray and extreme ultraviolet (EUV) spectral ranges.…”

Benchmarking Atomic Data from Large-scale Multiconfiguration Dirac–Hartree–Fock Calculations for Astrophysics: S-like Ions from Cr ix to Cu xiv

“…The other aim of the present study is to offer a consistent set of transition rates with high accuracy for all the ions for spectral line modeling. This study is an extension of our previous calculations (Jönsson et al 2011(Jönsson et al , 2014Wang et al 2014Wang et al , 2015Wang et al , 2016aWang et al , 2016bWang et al , 2017aWang et al , 2017bWang et al , 2017cWang et al , 2017dWang et al , 2018aWang et al , 2018cGuo et al 2015Guo et al , 2016Si et al 2016Si et al , 2017Chen et al 2017Chen et al , 2018Zhao et al 2018) for offering atomic data with high accuracy for L-and M-shell systems.…”

Theoretical Investigation of Correlation, Quantum Electrodynamics, and Breit Effects on the Energy Levels of Ca-Like Tungsten

“…Fischer et al [9] computed energy levels of the 3d 2 configurations for W 54+ ion. Extensive self-consistent multi configuration Dirac-Hartree-Fock (MCDHF) calculations were performed for the 3d 2 ground configurations of W 54+ ion by Zhao et al [10]. Finally, Ding et al calculated energy levels and radiative transitions for W 54+ ion comprehensively [11][12][13][14].…”