Benchmarking calculations of wavelengths and transition rates with spectroscopic accuracy for W xlviii through W lvi tungsten ions

Abstract

Atomic properties of n = 3 levels for W 47+ − W 55+ ions (Z = 74) are systematically calculated using two different and independent methods, namely, the second-order many-body perturbation theory and the multiconfiguration Dirac-Hartree-Fock method combined with the relativistic configuration interaction approach. Wavelengths and transition rates for electric-and magnetic-dipole transitions involving the n = 3 levels of W 47+ − W 55+ are calculated. In addition, we discuss in detail the importance of the valence and core-valence electron correlations, the Breit interaction, the higher-order frequency-dependent retardation correction, and the leading quantum electrodynamical corrections for transition wavelengths. Spectroscopic accuracy is achieved for the present calculated wavelengths, and most of them agree with experimental values within 0.05%. Our calculated wavelengths, combined with collisional radiative model simulations, are used to identify the yet unidentified 25 observed lines in the extremely complex spectrum between 27 Å and 34 Å measured by Lennartsson et al. [Phys. Rev. A 87, 062505 (2013)]. We provide additional data for 472 strong electric-dipole transitions in the wavelength range of 17-50 Å, and 185 strong magnetic-dipole transitions between 36 Å and 4384 Å, with a line intensity greater than 1 photon/s. These can provide benchmark data for future experiments and theoretical calculations.

Benchmarking calculations of excitation energies and transition properties with spectroscopic accuracy of highly charged ions used for the fusion plasma and astrophysical plasma

“…[96] 3p 6 3d 10 , 3s 2 3p 5 3d 9 , 3s3p 5 3d 10 Co-like W 3s 2 3p 6 3d 9 , 3s3p 6 3d 10 , 3s 2 3p 6 3d 8 4s, RMBPT&MCDHF 5 [34,97] 3s 2 3p 6 3d 8 4d, 3s 2 3p 5 3d 9 4p, 3s 2 3p 5 3d 9 4f, 3s 2 3p 4 3d 10 4p, 3s3p 6 3d 9 4s, 3s 2 3p 5 3d 10 , 3s 2 3p 6 3d 8 4p, 3s 2 3p 6 3d 8 4f, 3s 2 3p 5 3d 9 4s, 3s 2 3p 5 3d 9 4d Ga-like W 4s 2 4p, 4s 2 4d, 4s4p In our works for M-shell and N-shell tungsten ions, [29,30,34,[96][97][98][99][100][101] atomic properties (of n = 3 states for Mshell and n = 4 states for N-shell) including excitation energies, wavelengths, and transition properties from Al-like W 61+ through Co-like W 47+ , Ga-like W 43+ through Se-like W 40+ , and W 38+ ions are calculated and cross-checked by using the RMBPT and MCDHF approaches. The two datasets are in excellent agreement with each other on the order of 0.01% for M-shell and 0.1% for N-shell tungsten ions.…”

“…For the highly charged tungsten ions, our research group has already devoted to the study of the excitation energies, E1, M1, E2, M2, and E3 transition properties for M-shell (open 3p-and 3d-subshell) and N-shell (open 4p-subshell) tungsten ions [29,30,34,[96][97][98][99][100][101] by using the RMBPT and MCDHF methods. The targeted configurations and the number of studied states for each tungsten ion are summarized in Table 5.…”

“…The estimation details can be seen in our recent works. [63,96] For the 2673 E1 transitions originating from W 61+ listed in Table 8, about 55.2% have uncertainties 3% ≤ δ ≤ 7% (B+), 15.8% with δ ≤ 10% (B), 13.2% with δ ≤ 18% (C+), 9.6% with δ ≤ 25% (C), and only 6.2% with δ ≥ 25% (D, D+, and E). It should be noted that the uncertainty of the S-value of each transition is estimated by including all transitions of each ion considered, without any restriction on the line intensity values in the uncertainty estimation procedure, although only transitions with BRs over 0.1% are provided in Table 8.…”

Interfacial engineering of transition metal dichalcogenide/carbon heterostructures for electrochemical energy applications

“…[27][28][29][30][31] Among them, 2D transition metal dichalcogenides (TMDCs) are widely regarded as promising candidates for utilization as both electrocatalysts and electrode materials. [32][33][34][35] However, several issues, such as poor catalytic activity of the basal plane, poor structural stability during charging and discharging, easy aggregation of ultrathin nanosheets, and unsatisfactory electrical conductivity of the semiconducting phase, greatly restrict their applicability in EES and EEC devices. [36][37][38][39] To address these challenges, numerous efforts have been made to develop novel TMDCs at both the atomic and nanoscopic scales.…”

Partial identification of visible lines from W24+ ions in an electron-beam ion trap

“…Consequently, lots of experimental and theoretical studies have been conducted to provide atomic parameters of tungsten ions [7][8][9][10][11][12]. However, the research on spectral line identification for tungsten ions with an open 4 f-shell remains a persistent challenge due to the numerous coupling possibilities of the 4 f-electrons, which demand substantial computational efforts to accurately calculate the atomic data.…”