相关论文: Accounting for Breit interaction in actinide and s…
The Generalized Relativistic Effective Core Potential (GRECP) method is described which allows one to simulate Breit interaction and finite nuclear models by an economic way and with high accuracy. The corresponding GRECPs for the uranium,…
The atomic properties of heavy, moderately-charged ions are important for a wide variety of applications, including precision tests of fundamental physics and for the study and development of atomic and nuclear clocks. In these systems it…
In this letter we discuss how to include Breit interaction in calculations of low-energy properties of heavy atoms in accurate and effective way. In order to illustrate our approach we give some results for Cs and Tl.
Precise calculations of core properties in heavy-atom systems which are described by the operators heavily concentrated in atomic cores, like to hyperfine structure and P,T-parity nonconservation effects, usually require accounting for…
Correction to the hyperfine constant $A$ of an external s-electron in many-electron atom caused by the Breit interaction is calculated analytically: $\delta A/A =0.68 Z\alpha^2$. Physical mechanism for this correction is polarization of the…
Corrections from Breit interaction to basic properties of atomic 133Cs are determined in the framework of third-order relativistic many-body perturbation theory. The corrections to energies, hyperfine-structure constants, off-diagonal…
The FAC, GRASP2K, and MCDFGME codes are compared in three case study of radiative transitions occurring in tungsten ions: (i) Ni1 and Ni2 lines in Ni-like tungsten, (ii) $3p_{3/2}{-}3p_{1/2}$ fine splitting in Cl-like tungsten, and (iii)…
We have calculated the transition energies and probabilities of one-electron one photon and one-electron two photon transitions of middle-Z and high-Z He-like ions using the fully relativistic multiconfiguration Dirac-Hartree-Fock method…
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…
Calculations of transition energies between low-lying states of mercury atom are performed in the frame of combined CI/MBPT2 method. Results of all-electron relativistic calculations (using the Dirac-Coulomb Hamiltonian) are compared with…
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…
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…
Materials utilized by novel energy systems are often studied using weakly correlated mean-field theories. However, if these systems incorporate heavy elements, relativistic effects must be included. Therefore a Kramers unrestricted Coupled…
The relativistic Breit Hamiltonian between electrons is transformed into an effective vector potential ${\bf A}_i$ for the $i.$th electron, ${\bf A}_i$ having the structure of a recoil--corrected hyperfine operator. Apart from a small…
The strong mixing of close levels with two valence electrons in Be-like xenon greatly complicates ab initio QED calculations beyond the first-order approximation. Due to a strong interplay between the electron-electron correlation and QED…
The methods which are actively used for electronic structure calculations of low-lying states of heavy- and superheavy-element compounds are briefly described. The advantages and disadvantages of calculations with the Dirac-Coulomb-Breit…
Excitation energies, oscillator strengths, and transition rates are calculated for (5d2+5d6s+6s2)--(5d6p+5d5f+6s6p) electric dipole transitions in Yb-like ions with nuclear charges Z ranging from 72 to 100. Relativistic many-body…
Neutral uranium (U I) is a very difficult atom for theoretical calculations due to a large number of valence electrons, six, strong valence-valence and valence-core correlations, high density of states, and relativistic effects.…
The electron correlation effects and Breit interaction as well as Quantum Electro-Dynamics (QED) effects were expected to have important contribution to the energy level and transition properties of heavy highly charged ions. The ground…
The Breit interaction is implemented in the no-pair variational Dirac-Coulomb (DC) framework using an explicitly correlated Gaussian basis reported in the previous paper [Paper I: P. Jeszenszki, D. Ferenc, and E. M\'atyus (2022)]. Both a…