Benchmarking calculations with spectroscopic accuracy of level energies and wavelengths in W LVII–W LXII tungsten ions

Energy Levels, Radiative Data and Collisional Excitation of Chlorine like Tungsten W\(^{57+}\)

“…Further work has been done by Aggarwal et al [1] by including 44 configurations namely, 3s 2 3p 4 3d, 3s3p 6 , 3s 2 3p 2 3d 3 , 3s3p 4 3d 2 , 3p 6 3d, 3s3p 2 3d 4 , 3s 2 3p 4 4*1, 3s 2 3p 3 3d4*1, 3s3p 5 4*1, 3s 2 3p 4 5*1, 3p 6 4*1, 3s3p 5 5*1, 3s 2 3d 5 , 3p 2 3d 5 , 3s3d 6 , 3d 7 , 3s 2 3p 5 , 3s 2 3p 3 3d 2 , 3s3p 5 3d, 3s3p 3 3d 3 , 3s 2 3p3d 4 , 3p 5 3d 2 , 3s3p3d 5 and 3p3d 6 , wherein excitations from n = 3 to n = 5 are also included. It is noted that recently Zhang et al [30] included 10 configurations, 3s 2 3p 5 , 3s 2 3p 4 3d, 3s 2 3p 3 3d 2 , 3s 2 3p 2 3d 3 , 3s3p 5 3d, 3s3p 4 3d 2 , 3s3p 3 3d 3 , 3p 4 3d 3 , 3s3p 6 and 3s3p 2 3d 4 to study the excitation energies and wavelengths of W 56+ to W 61+ ions. In the present calculations, we include extensive configuration interaction among 56 configurations listed in Table 1.…”

“…In Table 2, we compare our computed excitation energy levels (relative to the ground state) of the lowest 30 fine-structure levels of chlorine-like tungsten from FAC calculations, with the most recent NIST energy table [20]. The calculated values of our earlier work (2014) [19], Aggarwal and Keenan (2014) [1], Xu et al (2017) [29], and Zhang et al (2021) [30] are also presented for comparison. One can see that the agreement between our computed values and the experimental values as complied in the NIST database is creditable.…”

“…Koziol [15] investigated the radiative transitions for the 3p 3/2 -3p 1/2 fine splitting in Cl-like tungsten ions. More recently, Zhang et al [30] systematically investigated the atomic properties of n = 3 states of the W 56+ -W 61+ ions using the second-order many-body perturbation theory, and the multi-configuration Dirac-Hartree-Fock method along with the relativistic configuration interaction approach. A comprehensive compilation of the results on spectral lines of chlorine-like tungsten W 57+ ions can be seen in refs.…”

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

“…As pointed out by Lennartsson et al [14], the difficulty of line identification is mainly due to insufficient electron correlations considered in their own FAC-RCI calculations. The accuracy of existing theoretical wavelengths, including those from the FAC-RCI The MCDHF-RCI method [26,31] implemented in the GRASP2K package [30] has been discussed in our recent studies [45,46]; here we only give a brief description of it. The MCDHF-RCI method starts from the Dirac-Coulomb (DC)…”

“…Each CSF, (γ i Jπ ), is a j j-coupled many-electron function built from antisymmetrized products of one-electron Dirac orbitals [26]. The radial functions of the large and small components of the one-electron Dirac orbitals and the expansion coefficients {c i } of the CSFs are obtained by solving iteratively the relativistic self-consistent field (RSCF) radial equations for the orbitals, coupled to the matrix diagonalization for the targeted eigenvectors Once the orbitals have been optimized through the MCDHF procedure, the Breit interaction and higher-order (HO) retardation correction beyond the Breit interaction, as well as the leading quantum electrodynamic (QED) effects including self-energy (SE) and vacuum polarization (VP), are added to the Dirac-Coulomb Hamiltonian in the RCI calculations to capture relativistic corrections to the Coulomb interaction (see [45,46] for more details).…”