Related papers: Conversion coefficients for superheavy elements
Nuclear deformation effects are theoretically investigated in terms of deformation corrections of the electronic binding and transition energies, $g$ factor, and hyperfine splitting constant. By solving the Dirac equation twice, with the…
Fully relativistic calculations are presented for the double $K$-shell photoionization cross section for several neutral medium-$Z$ atoms, from magnesium ($Z = 10$) up to silver ($Z = 47$). The calculations take into account all multipoles…
We study the conversion efficiency of heteronuclear Feshbach molecules in population imbalanced atomic gases formed by ramping the magnetic field adiabatically. We extend the recent work [J. E. Williams et al., New J. Phys., 8, 150 (2006)]…
We tabulate spontaneous emission rates for all possible 811 electric-dipole-allowed transitions between the 75 lowest-energy states of Ca I. These involve the $4sns$ ($n=4-8$), $4snp$ ($n=4-7$), $4snd$ ($n=3-6$), $4snf$ ($n=4-6$), $4p^2$,…
We present a computational scheme for total energy calculations of disordered alloys with strong electronic correlations. It employs the coherent potential approximation combined with the dynamical mean-field theory and allows one to study…
We report calculations of energy levels, radiative rates, collision strengths, and effective collision strengths for transitions among the lowest 25 levels of the n <= 5 configurations of He~II. The general-purpose relativistic atomic…
We have measured the K-shell internal conversion coefficient, alpha_K, for the 88.2-keV M4 transition from the 106-day isomer to the ground state in 127Te to be 484(6). When compared with Dirac-Fock calculations of alpha_K, this result…
We present a kinetic model for solid state phase transformation (alpha<-->beta) of common zirconium alloys used as fuel cladding material in light water reactors. The model computes the relative amounts of beta or alpha phase fraction as a…
The multiconfiguration Dirac-Hartree-Fock (MCDHF) and relativistic configuration interaction (RCI) methods are used to provide excitation energies, radiative transition data, lifetimes, Lande g-factors, hyperfine interaction constants and…
A new tabulation of electronic factors is reported for electron conversion for elements of Z from 5 to 126 and electronic factors for electron-positron pair conversion for elements of even Z from 4 to 100. The electronic factors for…
The present work reports results from systematic multiconfiguration Dirac-Hartree-Fock calculations of isotope shifts for several well-known transitions in neutral magnesium. Relativistic normal and specific mass shift factors as well as…
The exchange part of energy density of the linear Dirac--Hartree--Fock (DHF) model in symmetric nuclear matter is evaluated in a parameter--free closed form and expressed as density functional. After the rearranging terms the relativistic…
Our ab initio all-electron relativistic Dirac*Fock (DF) calculations for the octahedral (Oh) Ubq(CO)6 and Ubq(OC)6 predict atomization energies (Ae) of 50.25 (47.93) and 43.43 (44.88 ) eV, respectively where the corresponding…
To enrich and enhance the diversity of the \textsc{quest} database of highly-accurate excitation energies [\href{https://doi.org/10.1002/wcms.1517}{V\'eril \textit{et al.}, \textit{WIREs Comput.~Mol.~Sci.}~\textbf{11}, e1517 (2021)}], we…
The relativistic Hartree-BCS theory is applied to study the temperature dependence of nuclear shape and pairing gap for $^{166}Er$ and $^{170}Er$. For both the nuclei, we find that as temperature increases the pairing gap vanishes leading…
Dependence of transition frequencies on the fine structure constant $\alpha=e^2/\hbar c$ is calculated for several many-electron systems which are used or planned to be used in the laboratory search for the time variation of the fine…
Combined relativistic configuration interaction and many-body perturbation calculations are performed for the 359 fine-structure levels of the $2s^2 2p^3$, $2s 2p^4$, $2p^5$, $2s^2 2p^2 3l$, $2s 2p^3 3l$, $2p^4 3l$, and $2s^2 2p^2 4l$…
Compositional effects in NaK alloy clusters have been studied using bond order length strength notation and density functional theory calculations. The results reveal binding energy shifts of the NaK alloy clusters under different elemental…
Energy levels, normal and specific mass shift parameters as well as electronic densities at the nucleus are reported for numerous states along the beryllium, boron, carbon, and nitrogen isoelectronic sequences. Combined with nuclear data,…
Diagonal flipping of a rhombus consisting of two triangles sharing a common edge with atoms (ions) in vertices of the triangles is considered as an elementary act of the polymorphic transformation in metals. The estimation of the energy…