相关论文: Structural and collisional data for Mg III and Al …

Far-infrared and optical [O III] lines are useful temeprature-density diagnostics of nebular as well as dust obscured astrophysical sources. Fine structure transitions among the ground state levels 1s^22s^22p^3 \ ^3P_{0,1,2} give rise to…

The HFR and AUTOSTRUCTURE atomic structure codes are used to compute complete data sets of level energies, wavelengths, A-values, and radiative and Auger widths for K-vacancy states of the Ne, Mg, Si, S, Ar, and Ca isonuclear sequences.…

The electronic structures of hexagonal beta-Al9Mn3Si and phi-Al10Mn3 are investigated through self-consistent calculations carried out using the LMTO method. This ab-initio approach is combined with an analysis of a simplified hamiltonian…

The effects of various point defects and lattice distortions on the structural, electronic, and magnetic properties of Co$_2$MnAl alloy are investigated using density functional theory calculations. For the point defects, six types of…

Recent observation and analysis of kilonovae (KNe) spectra as a result of neutron star mergers require accurate and complete atomic structure and collisional data for interpretation. Ideally, the atomic datasets for elements predicted to be…

We report calculations of energy levels, radiative decay rates, and lifetimes for transitions among the 3s$^2$3p$^5$, 3s3p$^6$, and 3s$^2$3p$^4$3d configurations of Cl-like W LVIII. The general-purpose relativistic atomic structure package…

First-principles calculations were performed, and the results from the study of structural, electronic and elastic properties of zincblende III-arsenide binary compounds (BAs, AlAs, GaAs and InAs) are presented. These properties have been…

The main aim of this paper is to present accurate energy levels of the ground [Xe]$4f^{12}$ and first excited [Xe]$4f^{11}5d$ configurations of Er$^{2+}$. The energy level structure of the Er$^{2+}$ ion was computed using the…

Calculations for energy levels, radiative rates and lifetimes have been performed for three Ne-like ions, namely Hf~LXIII, Ta LXIV and Re LXVI, for which the general-purpose relativistic atomic structure package (GRASP) has been adopted.…

Al$_x$Ga$_{1-x}$N materials have become increasingly important for electronics in radiation environments due to their robust properties. In this work, we aim to investigate the atomistic mechanisms of radiation-induced damage in AlGaN…

Accurate and comprehensive atomic data are essential for the modelling of stellar spectra. Uncertainties in the oscillator strengths of specific lines used for abundance analyses directly translate into uncertainties in the derived…

The ratio of the symmetry energy coefficient to temperature, $a_sym/T$, in Fermi energy heavy ion collisions, has been experimentally extracted as a function of the fragment atomic number using isoscaling parameters and the variance of the…

It is important to understand whether $\alpha$-clustering structures can leave traces in ultra-relativistic heavy ion collisions. Using the modified AMPT model, we simulate three $\alpha$ + core configurations of $^{44}$Ti in…

Analysis of hyperfine structure constants of singly ionised cobalt (Co II) were performed on cobalt spectra measured by Fourier transform spectrometers in the region $3000-63000$ cm$^{-1}$ ($3333-159$ nm). Fits to over $700$ spectral lines…

In this paper, density functional theory calculations are used to explore the electronic and atomic reconstruction at interfaces between III-III/I-V oxides. In particular, at these interfaces, two dimensional electron gases (2DEGs) with…

Density functional theory paired with a first order many-body perturbation theory correction is applied to determine formation energies and charge transition energies for point defects in bulk In_0.53Ga_0.47As and for models of the…

First-principles, density-functional based electronic structure calculations are carried out for MgC(Ni_{1-x}Co_{x})_{3} alloys over the concentration range 0\leq x\leq1, using Korringa-Kohn-Rostoker coherent-potential approximation (KKR…

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…

In this research, we examine the electronic, magnetic, and lattice properties of the Fe$_4$(P$_2$O$_7$)$_3$ compound using the first principles calculations based on the density functional theory. The crystal lattice has a monoclinic…

In this study a comprehensive calculations of energies, hyperfine structure constants, Land\'e g$_J$ factors and isotope shifts have been performed for the lowest 71 states of Na-like Ar$^{7+}$, Kr$^{25+}$ and Xe$^{43+}$ ions. Radiative…