相关论文: Relativistic effects on properties of halogen grou…

We analyze the secular evolution of hierarchical triple systems to second-order in the quadrupolar perturbation induced on the inner binary by the distant third body. The Newtonian three-body equations of motion, expanded in powers of the…

The static dipole polarizabilities of group 11 elements (Cu, Ag, and Au) are computed using the relativistic coupled-cluster method with single, double, and perturbative triple excitations. Three types of relativistic effects on dipole…

In this work we investigate the effects of the environment on the X-ray photoelectron spectra of hydrogen chloride and the chloride ions adsorbed on ice surfaces, as well as of chloride ions in water droplets. In our approach, we combine a…

Electron correlation effects in Fe are analyzed using a first principles LCAO-scheme. In our approach, we first use a local orbital DFT-LDA solution to introduce a Hubbard Hamiltonian without fitting parameters. In a second step, we…

Using the relativistic Hartree-Fock approximation, we calculate the rates of atomic ionization by absorption of axions of the energies up to 100 keV and for an arbitrary value of the axion mass. We present numerical results for atoms used…

The nature of the effective spin Hamiltonian and magnetic order in the honeycomb iridates is explored by considering a trigonal crystal field effect and spin-orbit coupling. Starting from a Hubbard model, an effective spin Hamiltonian is…

The properties of transition metal compounds are largely determined by nontrivial interplay of different degrees of freedom: charge, spin, lattice, but also orbital ones. Especially rich and interesting effects occur in systems with orbital…

Two-dimensional (2D) materials exhibit a wide range of remarkable phenomena, many of which owe their existence to the relativistic spin-orbit coupling (SOC) effects. To understand and predict properties of materials containing heavy…

The effect of orbital magnetism on the chemical bonding of lateral, two-dimensional artificial molecules is studied in the case of a 2e double quantum dot (artificial molecular hydrogen). It is found that a perpendicular magnetic field…

We present a detailed experimental and theoretical study on the relativistic non-dipole effects in strong-field atomic ionisation by near-infrared linearly-polarised few-cycle laser pulses in the intensity range 1014 -1015 W/cm2. We record…

The presence of spin-orbit scattering within an aluminum nanoparticle affects measurements of the discrete energy levels within the particle by (1) reducing the effective g-factor below the free-electron value of 2, (2) causing avoided…

The crystal lattice of a complex compound may contain a subsystem of ions with each one possessing two close equilibrium positions (double-well structure). For example, the oxygen ions in the cuprates form such a subsystem. In such a…

The influence of correlation effects on the orbital moments for transition metals and their alloys is studied by first-principle relativistic Density Functional Theory in combination with the Dynamical Mean-Field Theory. In contrast to the…

Relativistic effects are investigated in nuclear matter calculations employing renormalized low-momentum nucleon-nucleon ($NN$) interactions. It is demonstrated that the relativistic effects cure a problem of non-relativistic low-momentum…

We study neutrino interactions in a hadron gas within a relativistic framework. The hadron matter is described by a non-interacting Fermi gas in beta equilibrium. We show that the introduction of relativistic effects causes a sizable…

Orbital magnetization is known empirically to play an important role in several magnetic phenomena, such as permanent magnetism and ferromagnetic superconductivity. Within the recently developed ''modern theory of orbital magnetization'',…

Fractional-spin errors are inherent in all current approximate density functionals, including Hartree-Fock theory, and their origin has been related to strong static correlation effects. The conventional way to encode fractional-spin…

We study a general relativistic gravitomagnetic 3-body effect induced by the spin angular momentum ${\boldsymbol S}_\textrm{X}$ of a rotating mass $M_\textrm{X}$ orbited at distance $r_\textrm{X}$ by a local gravitationally bound restricted…

We have carried out theoretical investigations of electron correlation effects on the atomic properties of the Ca atom trapped inside an attractive spherically symmetric potential well of an endohedral fullerene C$_{60}$ cluster.…

We calculate the relativistic corrections of relative order (Z alpha)^2$ to the two-photon decay rate of higher excited S and D states in ionic atomic systems, and we also evaluate the leading radiative corrections of relative order alpha…