Related papers: K-vacancy levels in Ne, Mg, Si, S, Ar, and Ca

The present review includes the description of theoretical methods for the investigations of the spectra of hydrogen-like systems. Various versions of the quasipotential approach and the method of the effective Dirac equation are…

The successive ionization potentials (IPs) and electron affinities (EAs) for superheavy elements with $111 \leq Z \leq 114$, namely, Rg, Cn, Nh, and Fl are reexamined using the relativistic Fock-space coupled-cluster method with…

We report calculations of energy levels, radiative rates, oscillator strengths and line strengths for transitions among the lowest 231 levels of Ti VII. The general-purpose relativistic atomic structure package ({\sc grasp}) and flexible…

Recent experiments on hydrogenated amorphous silicon using infrared absorption spectroscopy have indicated the presence of mono- and divacancy in samples for concentration of up to 14\% hydrogen. Motivated by this observation, we study the…

For photoionized plasmas, electron energy-loss rates due to radiative recombination (RR) are required for thermal equilib- rium calculations, which assume a local balance between the energy gain and loss. While many calculations of total…

We calculate the dependence of atomic transition frequencies on the fine structure constant, $\alpha = e^2/\hbar c$, for some ions of Ti, Mn, Na, C, and O. The results of these calculations will be used in the search for variation of alpha…

Using the code AUTOSTRUCTURE, extensive calculations of inner-shell atomic data have been made for the chemical elements He, C, N, O, Ne, Na, Mg, Al, Si, S, Ar, Ca, Cr, Mn, Fe and Ni. The results are used to obtain up-dated opacities from…

The electronic energy band structure of strained and unstrained Si, Ge and SiGe alloys is examined in this work using thirty-level k.p analysis. The energy bands are at first obtained with ab initio calculations based on the…

Auger LMM spectra and preliminary model simulations of Ar(9+) and metastable Ar(8+) ions interacting with a clean monocrystalline n-doped Si(100) surface are presented. By varying the experimental parameters, several yet undiscovered…

We report calculations of energy levels, radiative rates and electron impact excitation cross sections and rates for transitions in Be-like Ti XIX. The GRASP (General-purpose Relativistic Atomic Structure Package) is adopted for calculating…

We present a new determination of the metallicity gradient in M33, based on Keck/LRIS measurements of oxygen abundances using the temperature-sensitive emission line [OIII] 4363 A in 61 HII regions. These data approximately triple the…

A density functional theory is used to predict the binding energy of atomic and molecular impurities (Ne, Ar, Kr, Xe, Li, Na, K, Rb, Cs, and SF$_6$) in the center of $^4$He clusters, in the limit of zero temperature and for zero angular…

Correct treatment of subthreshold Kbar-N dynamics is mandatory in kaonic-atom and Kbar-nuclear bound-state calculations, as demonstrated by using in-medium chirally-based models of Kbar-N interactions. Recent studies of kaonic-atom data…

We present results of non-LTE modeling of H-alpha 6563 A and Mg II k&h 2796 A and 2803 A lines. This modeling is important for interpretation of coordinated observations from the recently launched NASA's IRIS mission and from the New Solar…

We present R-matrix calculations of photoabsorption and photoionization cross sections across the K edge of the Li-like to Ca-like ions stages of Ni. Level-resolved, Breit-Pauli calculations were performed for the Li-like to Na-like stages.…

First principles molecular dynamics simulations have been performed for the liquid-vapor interfaces of liquid Li, Mg, Al and Si. We analize the oscillatory ionic and valence electronic density profiles obtained, their wavelengths and the…

The multi-configuration Dirac-Hartree-Fock method was employed to calculate the total and excitation energies, oscillator strengths and hyperfine structure constants for low-lying levels of Sm I. In the first-order perturbation…

It has been occasionally suggested that Fe abundances of K dwarfs derived from Fe I and Fe II lines show considerable discrepancies and oxygen abundances determined from high-excitation O I 7771-5 triplet lines are appreciably overestimated…

Both the Fe II UV emission in the 2000- 3000 A region [Fe II (UV)] and resonance emission line complex of Mg II at 2800 A are prominent features in quasar spectra. The observed Fe II UV/ Mg II emission ratios have been proposed as means to…

Although quartz ($\rm \alpha$-form) is a mineral used in numerous applications wherein radiation exposure is an issue, the nature of the atomistic defects formed during radiation-induced damage have not been fully clarified. Especially, the…