Related papers: Studies of Lanthanides 6s Ionization Energy
We use all-order relativistic many-body perturbation theory to study 5s^2 nl configurations of In I and Sn II. Energies, E1-amplitudes, and hyperfine constants are calculated using all-order method, which accounts for single and double…
In a recent paper, Tayal et al. [{\em Astrophys. J. Suppl.} {\bf 2019}, {\emph 242}, 9] have reported results for energy levels, radiative rates (A-values) and effective collision strengths ($\Upsilon$) for transitions among the 198 levels…
An emerging application of resonant inelastic x-ray scattering (RIXS) is the study of lattice excitations and electron-phonon ($e$-ph) interactions in quantum materials. Despite the growing importance of this area of research, the community…
The relativistic multiconfiguration Dirac-Hartree-Fock (MCDHF) and the non-relativistic multiconfiguration Hartree-Fock (MCHF) methods have been employed to calculate the magnetic dipole and electric quadrupole hyperfine structure constants…
The nucleon single-particle energies (SPEs) of the selected nuclei, that is, 16O, 40Ca, and 56Ni, are obtained by using the diagonal matrix elements of two-body effective interaction, which generated through the lowest order constrained…
The influence of disorder and interaction on the ground state polarization of the two-dimensional (2D) correlated electron gas is studied by numerical investigations of unrestricted Hartree-Fock equations. The ferromagnetic ground state is…
A square lattice of mesoscopic resistors is considered. Each bond is modeled as a narrow waveguide, while junctions are sources of elastic scattering given by a scattering matrix \mathbf{S}. Symmetry and unitarity constraints are used in a…
The orientational correlation scheme introduced earlier for tetrahedral molecules is extended for being able to classify orientational correlations between pairs of high symmetry molecules. While in the original algorithm a given…
The spin-wave spectrum in the metallic ferromagnetic lantha-num cubic manganites was investigated. The interactions with four coordination spheres (32 neighbors) were taken into ac-count. The Heisenberg superexchange between all manganese…
Atomic properties of $n=3$ states of the W$^{56+}$ $-$ W$^{61+}$ ions are systematically investigated through two state-of-the-art methods, namely, the second-order many-body perturbation theory, and the multi-configuration…
The cold(neutronless) fission of $^{252}$Cf is studied in the frame of a molecular model in which the scission configuration is described by two aligned fragments interacting by means of Coulomb (+ nuclear) forces. The study is carried out…
Tayal and Zatsarinny [Astrophys. J. 850 (2017) 147] have reported results for energy levels, radiative rates (A-values), lifetimes, and effective collision strengths ($\Upsilon$) for transitions among 202 levels of C-like O~III. For the…
Fully numerical mesh solutions of 2D quantum equations of Schroedinger and Hartree-Fock type allow us to work with wavefunctions which possess a very flexible geometry. This flexibility is especially important for calculations of atoms and…
We calculate the energy levels and successive ionisation potentials (IPs) of ions of the three heaviest known Group 16 and 17 elements using a theoretical approach that combines the linearised coupled-cluster method, configuration…
Metal halide perovskites have shown great performance as solar energy materials, but their outstanding optoelectronic properties are paired with unusually strong anharmonic effects. It has been proposed that this intriguing combination of…
The S = 1/2 triangular lattice antiferromagnet (TLAF) is a paradigmatic example of frustrated quantum magnetism. An ongoing challenge involves understanding the influence of exchange anisotropy on the collective behavior within such…
A recently developed density functional method, within Hohenberg-Kohn-Sham framework, is used for faithful description of atoms, molecules in Cartesian coordinate grid, by using an LCAO-MO ansatz. Classical Coulomb potential is obtained by…
We review the semiclassical analysis of strings in AdS5xS5 with a focus on the relationship to the underlying integrable structures. We discuss the perturbative calculation of energies for strings with large charges, using the folded string…
The one-hole spectral weight for two chains and two dimensional lattices is studied numerically using a new method of analysis of the spectral function within the Lanczos iteration scheme: the Lanczos spectra decoding method. This technique…
A subsystem approach for obtaining electron binding energies in the valence region and apply it to the case of halide ions (X$^-$, X = F-At) in water. This approach is based on electronic structure calculations combining the relativistic…