Large-scale self-consistent multiconfiguration Dirac-Hartree-Fock and relativistic configuration interaction calculations are reported for the n <= 6 levels in Be-like ions from B II to Ne VII. Effects from electron correlation are taken into account by means of large expansions in terms of a basis of configuration state functions, and a complete and accurate data set of excitation energies; lifetimes; wavelengths; electric dipole, magnetic dipole, electric quadrupole, and magnetic quadrupole line strengths; transition rates; and oscillator strengths for these levels is provided for each ion. Comparisons are made with available experimental and theoretical results. The uncertainty of excitation energies is assessed to be 0.01% on average, which makes it possible to find and rule out misidentifications and aid new line identifications involving high-lying levels in astrophysical spectra. The complete data set is also useful for modeling and diagnosing astrophysical plasmas.

Using the multiconfiguration Dirac-Fock method, calculations for the lowest 62 levels of the ([Ar] 3d(10))4s(2) 4p(5), ([Ar] 3d(10))4s(2)4p(3)4d(2), ([Ar] 3d(10))4s(2)4p(4)4d, ([Ar] 3d(10))4s4p(6), and ([Ar] 3d(10))4s4p(5)4d configurations are performed for the bromine isoelectronic sequence La XXIII-Dy XXXII, W XL. Results of energy levels, lifetimes, wavelengths, and electric dipole, magnetic dipole, electric quadrupole, and magnetic quadrupole radiative rates are presented. In order to assess the accuracy of results, independent calculations for W XL have been carried out using the many-body perturbation theory (MBPT) method. Comparisons are made with available theoretical results from other calculations and the observed values of the Atomic Spectra Database of the National Institute of Standards and Technology. Energy levels are estimated to be accurate to better than 1%, and radiative rates (and lifetimes) are accurate to better than 20% for a majority of strong transitions. These results should be useful in many applications of lanthanide ions related to broad area of research such as applied physics, laser physics and fusion science. (C) 2017 Elsevier Inc. All rights reserved.

The fully relativistic multiconfiguration Dirac-Hartree-Fock method is used to compute excitation energies and lifetimes for the 143 lowest states of the 3s(2)3p(3), 3s3p(4), 3s(2)3p(2)3d, 3s3p(3)3d, 3p(5), 3s(2)3p3d(2) configurations in P-like ions from Cr X to Zn XVI. Multipole (E1, M1, E2, M2) transition rates, line strengths, oscillator strengths, and branching fractions among these states are also given. Valence-valence and core-valence electron correlation effects are systematically accounted for using large basis function expansions. Computed excitation energies are compared with the NIST ASD and CHIANTI compiled values and previous calculations. The mean average absolute difference, removing obvious outliers, between computed and observed energies for the 41 lowest identified levels in Fe XII, is only 0.057%, implying that the computed energies are accurate enough to aid identification of new emission lines from the Sun and other astrophysical sources. The amount of energy and transition data of high accuracy are significantly increased for several P-like ions of astrophysics interest, where experimental data are still very scarce.

Employing two state-of-the-art methods, multiconfiguration Dirac-Hartree-Fock and second-order many body perturbation theory, highly accurate calculations are performed for the lowest 272 fine -structure levels arising from the 2s(2)2p(3), 2s(2)p(4), 2p(5), 2s(2)2p(2)3l (l = s, p, d), 2s2p(3)3l (l = s, p, d), and 2p(4)3l (l = s, p. d) configurations in nitrogen-like Ge XXVI. Complete and consistent atomic data, including excitation energies, lifetimes, wavelengths, hyperfine structures, Lande g(J)-factors, and E1, E2, M1, M2 line strengths, oscillator strengths, and transition rates among these 272 levels are provided. Comparisons are made between the present two data sets, as well as with other available experimental and theoretical values. The present data are accurate enough for identification and deblending of emission lines involving the n = 3 levels, and are also useful for modeling and diagnosing fusion plasmas. (C) 2018 Elsevier Ltd. All rights reserved.

An extensive set of level energies, wavelengths, line strengths, oscillator strengths, lifetimes, hyperfine structures, Lande g(J)-factors, electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2), and magnetic quadrupole (M2) radiative transition rates among the lowest 318 states arising from the 2s(2)2p(4), 2s2(p)5, 2p(6), 2s(2)2p(3)3l (l = 0, 1, 2), 2s2p(4)31 (l = 0, 1, 2), 2p(5)3l (l = 0, 1, 2), and 2s(2)2p(3)4l (l = 0, 1, 2, 3) configurations has been obtained for Se XXVII. These new data, calculated within the frameworks of the multi-configuration Dirac-Hartree-Fock method and the second-order many-body perturbation theory, fill in the gap existing in the atomic data needed for the diagnostic processes of tokamak plasmas. Using two methods allowed us to make an intercomparison and to estimate the uncertainties on the obtained data. The results arising in the two sets of calculations are quite close, suggesting that there is a high degree of convergence achieved in our work. i.e., our two sets of energies agree to better than 0.02%, and the lifetimes mostly agree to within 2%. Comparison is also made with the limited number of experimental data and previous computations to assess the accuracy of our calculations. (C) 2017 Elsevier Ltd. All rights reserved.

Atomic data, such as wavelengths, spectroscopic labels, broadening parameters and transition rates, are necessary for many applications, especially in plasma diagnostics, and for interpreting the spectra of distant astrophysical objects. The experiment with its limited resources is unlikely to ever be able to provide a complete dataset on any atomic system. Instead, the bulk of the data must be calculated. Based on fundamental principles and well-justified approximations, theoretical atomic physics derives and implements algorithms and computational procedures that yield the desired data. We review progress and recent developments in fully-relativistic multiconfiguration Dirac-Hartree-Fock methods and show how large-scale calculations can give transition energies of spectroscopic accuracy, i.e., with an accuracy comparable to the one obtained from observations, as well as transition rates with estimated uncertainties of a few percent for a broad range of ions. Finally, we discuss further developments and challenges.