相关论文: Theoretical study of electron structure of superhe…
The combination of the configuration interaction method and all-order single-double coupled-cluster technique is used to calculate excitation energies, ionization potentials and static dipole polarizabilities of superheavy elements…
Mercury (Hg) and superheavy element copernicium (Cn) are investigated using equation-of-motion relativistic coupled-cluster (EOM-RCC) and configuration interaction plus many-body perturbation theory (CI+MBPT) methods. Key atomic properties…
Relativistic Hartree-Fock and random phase approximation methods for open shells are used to calculate ionization potentials and static scalar polarizabilities of eight superheavy elements with open $6d$-shell, which include Db, Sg, Bh, Hs,…
We use recently developed method of accurate atomic calculations which combines linearized single-double coupled cluster method with the configuration interaction technique to calculate ionisation potentials, excitation energies, static…
Accurate ab initio calculations of the energy levels of the superheavy elements Z=112 are presented. Relativistic Hartree-Fock and configuration interaction methods are combined with the many-body perturbation theory to construct the…
Advanced theoretical techniques that combine the linearized coupled-cluster method, configuration interaction method, and perturbation theory are used to calculate energy levels, ionization potentials, electron affinities, field isotope…
High-precision calculations of the energy levels of the superheavy element Z=120 are presented. The relativistic Hartree-Fock and configuration interaction techniques are employed. The correlations between core and valence electrons are…
We calculate the spectra, electric dipole transition rates and isotope shifts of the super heavy elements Ds (Z=110), Rg (Z=111) and Cn (Z=112) and their ions. These calculations were performed using a recently developed, efficient version…
Atomic spectra and other properties of superheavy element dubnium (Db, Z=105) are calculated using recently developed method combining configuration interaction with perturbation theory (the CIPT method, Dzuba et al, Phys. Rev. A, {\bf 95},…
Ground state properties of the superheavy elements (SHE) with Z from 108 to 128 and N from 150 to 192 are investigated using both the Skyrme-Hartree-Fock method with a density-independent contact pairing interaction and the…
We revisit the Bohr-Sommerfeld atomic model to explore hydrogen-like ions of Uranium ($Z=92$), Oganesson ($Z=118$), and hypothetical superheavy elements beyond. Although superseded by the Dirac equation and modern quantum electrodynamics,…
High-precision calculations of the energy levels of the superheavy elements E119 and E120+ are presented. Dominating correlation corrections beyond relativistic Hartree-Fock are included to all orders in the Coulomb interaction using the…
Accurate atomic structure calculations of complicated atoms with 4 or more valence electrons begin to push the memory and time limits of supercomputers. This paper presents a robust method of decreasing the size of \textit{ab initio}…
Advances in laser spectroscopy of superheavy ($Z>100$) elements enabled determination of the nuclear moments of the heaviest nuclei, which requires high-precision atomic calculations of the relevant hyperfine structure (HFS) constants.…
Energy levels, magnetic dipole, and electric quadrupole hyperfine structure of the superheavy element rutherfordium (Rf, $Z$=104) and its first three ions are calculated using a combination of the configuration interaction, coupled-cluster…
We investigate the influence of hydrogen on the electronic structure of a binary transition metallic glass of V$_{80}$Zr$_{20}$. We examine the hybridization between the hydrogen and metal atoms with the aid of hard x-ray photoelectron…
Relativistic calculations of the electronic structure of the superheavy element of the eighth period $-$ eka-francium ($Z=119$) and its homologues, which form the group of alkali metals, are performed in the framework of the…
Relativistic effective atomic configurations of superheavy elements Cn, Nh and Fl and their lighter homologues (Hg, Tl and Pb) in their simple compounds with fluorine and oxygen are determined using the analysis of local properties of…
Transition metal oxides are a rich group of materials with very interesting physical properties that arise from the interplay of the charge, spin, orbital, and lattice degrees of freedom. One interesting consequence of this, encountered in…
Chiral semiconductors such as elemental tellurium (Te) exhibit unconventional spin textures and large charge-to-spin conversion efficiencies, yet the influence of introducing elements on these properties remains underexplored. Here, we…