Interpretation of europium(III) spectra

We describe the updated version of the “Vienna Atomic Line Data Base” (VALD, Piskunov et al. 1995) which represents a considerable improvement over the first installation from 1994. The original line lists have been complemented with critically evaluated data obtained from experimental measurements and theoretical calculations which are necessary for computing state-of-the-art line opacities in stellar atmospheres, as well as for synthesizing spectra for high precision analyses. In this paper, we present new and improved data sets for neutral species and ions of Si, P, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Y, Zr, Ru, Xe, La, Ce, Pr, Nd, Sm, Eu, Gd, Dy, Ho, Er, Tm, Yb, Lu, Re, Pt, Au, Hg, and Pb. For some species data are available in VALD for the first time. We explain our choice of quality rankings by reviewing the literature for the new data and by comparison with source lists included into VALD. For some cases, we produced new line data by weighted averaging of data from different sources with individual error estimates in order to increase the reliability of VALD line lists. Software modifications allow remote users of VALD to specify individual extraction parameters as an alternative to the default settings of the VALD team and to have direct control over the quality ranking of line data. A World–Wide–Web interface is described which provides easy access to all new features. To simplify proper crediting of all authors of atomic data, VALD now includes a compilation of all publications used in each type of reply. Finally, we briefly discuss the future roadmap of VALD developments, including the incorporation of molecular transitions and integration with external data bases.

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VALD{2: Progress of the Vienna Atomic Line Data Base ?

Handbook of Basic Atomic Spectroscopic Data

Gaussian (14s13p10d8f6g)/[6s6p5d4f3g] atomic natural orbital valence basis sets have been derived for relativistic energy-consistent small-core lanthanide pseudopotentials of the Stuttgart–Bonn variety. The existing set of lanthanide pseudopotentials has been supplemented by corresponding potentials for lanthanum and lutetium in order to arrive at a set analogous to the one available for the actinides. Multiconfiguration self-consistent field and subsequent multireference averaged coupled-pair functional calculations are presented for the first to fourth ionization potentials of all lanthanide elements. Molecular calibration studies using the coupled-cluster singles, doubles, and perturbative triples approach are reported for the monohydrides, monoxides, and monofluorides of lanthanum and lutetium.

Valence basis sets for relativistic energy-consistent small-core actinide pseudopotentials

Nonrelativistic and quasirelativistic energy-adjusted pseudopotentials and optimized (7s6p5d)/[5s4p3d]-GTO valence basis sets for use in molecular calculations for fixed f-subconfigurations of the rare earth elements, La through Lu, have been generated. Atomic excitation and ionization energies from numerical HF, as well as SCF pseudopotential calculations using the derived basis sets, differ by less than 0.1 eV from numerical HF all-electron results. Corresponding values obtained from CI(SD), CEPA-1, as well as density functional calculations using the quasirelativistic pseudopotentials, are in reasonable agreement with experimental data.

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Energy-adjusted pseudopotentials for the rare earth elements

Atomic energy levels - The rare-Earth elements

Energy level data are given for the atom and all positive ions of magnesium (Z=12). These data have been critically compiled, mainly from published material on measurements and analyses of the optical spectra. We have derived or recalculated the levels for a number of the ions. In addition to the level value in cm−1 and the parity, the J value and the configuration and term assignments are listed if known. Leading percentages from the calculated eigenvectors are tabulated wherever available. Ionization energies are given for all spectra.

Energy levels of magnesium, Mg I through Mg XII

: Energy level data are given for 66 atoms and atomic ions of the 15 elements lanthanum (Z=57) through lutetium (Z=71). These data have been critically compiled from published and unpublished material. Only experimentally determined energy levels are included, the energies being restricted to excitation of outer-shell electrons and to inner-shell excitations up to the soft x-ray range. The levels were taken from analyses of the spectra of atomic gases wherever possible; however, the levels for several of the triply ionized rare earths are from analyses of the spectra of the ions in crystals or solutions. In addition to the level value and the parity, the J value, configuration and term assignments, and the experimental g value are listed wherever available. Leading percentages from the calculated eigenvector are also tabulated for each level if available. The levels are grouped into spectroscopic terms of appropriate coupling schemes where such groups appear meaningful. Ionization potentials are tabulated for most of the spectra. Complete references for the tabulated data are given for each spectrum.

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Atomic Energy Levels - The Rare-Earth Elements. The Spectra of Lanthanum, Cerium, Praseodymium, Neodymium, Promethium, Samarium, Europium, Gadolinium, Terbium, Dysprosium, Holmium, Erbium, Thulium, Ytterbium, and Lutetium,

Energy level data are given for the atom and all positive ions of silicon (Z=14) These data have been critically compiled, mainly from published material on measurements and analyses of the optical spectra We have derived or recalculated the levels for a number of the ions In addition to the level value in cm−1 and the parity, the J value and the configuration and term assignments are listed if known Leading percentages from the calculated eigenvectors are tabulated or quoted wherever available Ionization energies are given for all spectra Key words: atomic energy levels; atomic ions; atomic spectra; electron configurations; ionization potentials; silicon

Energy Levels of Silicon, Si I through Si XIV

Energy level data are given for the atom and all positive ions of aluminum (z=13). These data have been critically compiled, mainly from published material on measurements and analyses of the optical spectra. We have derived or recalculated the levels for a number of the ions. In addition to the level value in cm−1 and the parity, the J value and the configuration and term assignments are listed if known. Leading percentages from the calculated eigenvectors are tabulated wherever available. Ionization energies are given for all spectra.

Romuald Zalubas

Papers

Atomic energy levels - The rare-Earth elements

Energy levels of magnesium, Mg I through Mg XII

Atomic Energy Levels - The Rare-Earth Elements. The Spectra of Lanthanum, Cerium, Praseodymium, Neodymium, Promethium, Samarium, Europium, Gadolinium, Terbium, Dysprosium, Holmium, Erbium, Thulium, Ytterbium, and Lutetium,

Energy Levels of Silicon, Si I through Si XIV

Energy Levels of Aluminum, Al I through Al XIII,