Related papers: Non-dipole angular anisotropy parameters of semi-f…
We show that considerable orbital magnetic moments and magneto-crystalline anisotropy energies are obtained for a Fe monatomic wire described in a tight-binding method with intra-atomic electronic interactions treated in a full Hartree Fock…
We take an additional step towards the optimization of the novel finite-range pseudopotential at constrained Hartree-Fock-Bogolyubov level and implement an optimization procedure within an axial code using harmonic oscillator basis. We…
Absolute cross sections for m-fold photoionization (m=1,...,6) of Fe+ by a single photon were measured employing the photon-ion merged-beams setup PIPE at the PETRA III synchrotron light source, operated by DESY in Hamburg, Germany. Photon…
Recently discovered materials called three-dimensional topological insulators constitute examples of symmetry protected topological states in the absence of applied magnetic fields and cryogenic temperatures. A hallmark characteristic of…
We study a two-dimensional Hubbard-Holstein model with phonons treated in the adiabatic limit. A Hartree-Fock decomposition is employed for the Hubbard term. A range of electronic densities are discussed with special emphasis on the…
Recently discovered altermagnets provide a physical realization of an unconventional compensated magnetic phases with a higher partial-wave type of ordering, reminiscent of unconventional superfluid phases. Their stability under normal…
Recent experiments in the two dimensional electron systems in silicon MOSFETs have shown that the in-plane magnetic field $H_{sat}$ required to saturate the conductivity to its high-field value and the magnetic field $H_s$ needed to…
Extending density functional theory (DFT) to an {\it ab initio} orbital functional theory (OFT) requires new methodology for nonlocal exchange and correlation potentials. This paper describes such modifications to a standard Dirac-Slater…
We present a systematic measurement of the X-ray emission asymmetries in the K-shell dielectronic, trielectronic, and quadruelectronic recombination of free electrons into highly charged ions. Iron ions in He-like through O-like charge…
This work is aimed at the multi-configuration Hartree-Fock calculations of the 6s ionization energies of lanthanides with configurations [Xe]4f^{N}6s^{2}. Authors have used the ATSP MCHF version in which there are new codes for calculation…
A resonant level strongly coupled to a local phonon under nonequilibrium conditions is investigated. The nonequilibrium Hartree-Fock approximation is shown to correspond to approximating the steady state density matrix by delta functions at…
The present work reports new total photoabsorption cross sections for the $N=Z$ nuclei in the $sd$-shell $^{20}$Ne, $^{24}$Mg, $^{28}$Si, $^{32}$S, $^{36}$Ar, and for $^{26}$Mg. The results are compared to predictions of a data-driven…
We explore photo-electron spectra (PES) and photo-electron angular distributions (PAD) of C$_{60}$ with time-dependent density functional theory (TDDFT) in real time. To simulate experiments in gas phase, we consider isotropic ensembles of…
The transmission of low-energy (<1.8eV) photoelectrons through the shell of core-shell aerosol particles is studied for liquid squalane, squalene, and DEHS shells. The photoelectrons are exclusively formed in the core of the particles by…
Hartree-Fock theory is supposed to yield a picture of atomic shells which may or may not be filled according to the atom's position in the periodic table. We prove that shells are always completely filled in an exact Hartree-Fock…
We study two-dimensional (2D) droplets of noninteracting electrons in a strong magnetic field, placed in a confining potential with arbitrary shape. Using semiclassical methods adapted to the lowest Landau level, we obtain near-Gaussian…
Atomic properties such as field shift constants, magnetic dipole and electric quadrupole hyperfine structure constants, Land\'e $g_J$ factors, and electric quadrupole moments that are described by electronic operators with different ranks…
Absolute two-photon detachment cross sections and photoelectron angular distribution are calculated for halogen negative ions within lowest-order perturbation theory. The Dyson equation method is used to obtain the outer np ground-state…
This treatise reviews latest results obtained from angle-resolved photoemission spectroscopy (ARPES) on cuprate superconductors, with a special focus on the electron-phonon interaction. What has emerged is rich information about the…
We study the polarization characteristics of x-ray photons scattered by hydrogenic atoms, based on the Dirac equation and second-order perturbation theory. The relativistic states used in calculations are obtained using the finite basis set…