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Calculated level energies, transition probabilities, and lifetimes of silicon-like ions
The authors present theoretical excitation energies and lifetimes for the 27 low-lying levels of silicon-like ions of S, Ar, Ca, Ti, Fe, Zn, and Kr (16 {le} Z {le} 36). Special attention has beenExpand
The electronic structure and properties of group 8 oxides MO4, where M=Ru, Os, and Element 108, Hs
Fully relativistic density functional calculations have been performed for group 8 tetroxides MO4, where M=Ru, Os, and element 108, Hs. The electronic structure analysis has shown HsO4 to be veryExpand
Intermetallic compounds of the heaviest elements: the electronic structure and bonding of dimers of element 112 and its homolog Hg
Abstract Fully relativistic (four-component) density-functional calculations were performed for the element 112 dimers (112)X (X = Pd, Cu, Ag and Au) and those of its lighter homolog, Hg. AExpand
The continuation of the periodic table up to Z = 172. The chemistry of superheavy elements
The chemical elements up toZ = 172 are calculated with a relativistic Hartree-Fock-Slater program taking into account the effect of the extended nucleus. Predictions of the binding energies, theExpand
Theoretical Estimates of Redox Potentials for Group 6 Elements, Including Element 106, Seaborgium, in Acid Solutions
Standard reduction potentials for group 6 elements, including element 106 (Sg), in acid solutions have been estimated on the basis of ionization potentials calculated using the multiconfigurationExpand
Ionization potentials and radii of atoms and ions of element 104 (unnilquadium) and of hafnium (2 +) derived from multiconfiguration Dirac-Fock calculations
Multiconfiguration relativistic Dirac–Fock (MCDF) values have been computed for the first four ionization potentials (IPs) of element 104 (unnilquadium) and of the other group 4 elements (Ti, Zr, andExpand
Total Energy Calculations of RfCl4 and Homologues in the Framework of Relativistic Density Functional Theory
Calculations of total and binding energies of group IV tetrachlorides MCl4 (M = Ti, Zr, Hf, and element 104, Rf) were performed using the four-component fully relativistic density functional method.Expand
Quadrupole moments of radium isotopes from the 7p2P3/2 hyperfine structure in Ra II
The hyperfine structure and isotope shift of221–226Ra and212,214Ra have been measured in the ionic (Ra II) transition 7s2S1/2–7p2P3/2 (λ=381.4 nm). The method of on-line collinear fast-beam laserExpand
Forbidden Transitions in the Ground-State Configuration of Low-Z Phosphorus-like Ions
Systematically enlarged multiconfiguration Dirac-Fock wave functions have been applied in order to investigate the forbidden lines among the 3s23p3 ground-state levels for phosphorus-like ions at theExpand
Non-collinear and collinear four-component relativistic molecular density functional calculations
The non-collinear and collinear descriptions within relativistic density functional theory is described. We present results of both non-collinear and collinear calculations for atoms, diatomicExpand