Related papers: Relativistic effects on properties of halogen grou…
Core-level spectra of 1s electrons of elements heavier than Ne show significant relativistic effects. We combine advances in orbital optimized DFT (OO-DFT) with the spin-free exact two-component (X2C) model for scalar relativistic effects,…
In this work, atomic calculations were performed within the local-density and generalized-gradient approximations of exchange and correlation density functionals within density-functional theory to provide accurate periodic trends of first…
Electronic properties of spin polarized antiferromagnetic ACrO3 (A = La, Y) are explored with Hubbard Model using Density Functional Theory (DFT). These two isostructural systems are investigated using the different Hubbard energy and…
Fluid dynamical calculations with QGP showed a softening of the directed flow while with hadronic matter this effect is absent. On the other hand, we indicated that a third flow component shows up in the reaction plane as an enhanced…
Effects of massive object's spin on massive-massless $2 \to 2$ classical scattering is studied. Focus is set on the less-considered dimensionless expansion parameter $\lambda/b$, where $\lambda$ is the massless particle's wavelength and $b$…
The neutron spin-orbit density contributes to the nuclear charge density as a relativistic effect. The contribution is enhanced by the effective mass stemming from the Lorentz-scalar potential in relativistic models. This enhancement…
Rare-earth trihydrides ($R$H$_3$) exhibit intriguing coupled electronic and structural properties as a function of doping, hydrogen vacancies, and thermodynamic conditions. Theoretical studies of these materials typically rely on density…
Highly charged ions (HCIs) combine compact electronic structure with strong relativistic effects, offering both robustness against external perturbations and enhanced sensitivity to variations of the fine-structure constant. Recent advances…
We examine the influence of the relativistic effects within the linear augmented plane wave method (LAPW) for solids and propose a few alternative ways to accurately take them into account: (1) we introduce new radial dependencies for LAPW…
Dynamical studies of asteroid populations in retrograde orbits, that is with orbital inclinations greater than 90 degrees, are interesting because the origin of such orbits is still unexplained. Generally, the population of retrograde…
The goal of this paper is to investigate the detection by GRAVITY of different relativistic effects affecting the astrometric and/or spectroscopic observations of S2 such as the transverse Doppler shift, the gravitational redshift, the…
We analytically compute, in the first Born approximation for symmetric and asymmetric coplanar geometries, the triple differential cross sections for electron-impact ionization of hydrogen atom in the metastable 2S-state at both low and…
Simulations of radiation damage in single molecule imaging using a X-ray free electron laser use atomic rates calculated in the lowest order. We investigate the difference in ion yield predictions using Hartree-Fock and Hartree-Fock-Slater…
Nonrelativistic systems exhibiting collective magnetic behavior are analyzed in the framework of effective Lagrangians. The method, formulating the dynamics in terms of Goldstone bosons, allows to investigate the consequences of spontaneous…
We extend previous work on alkali halides by calculations for the heavy-atom species RbF, RbCl, LiBr, NaBr, KBr, RbBr, LiI, NaI, KI, and RbI. Relativistic effects are included by means of energy-consistent pseudopotentials, correlations are…
The dramatic changes in electronic and magnetic properties are investigated using the first-principles calculations for (Cl, Br, I, At)-adsorbed graphene nanoribbons. The rich and unique features are clearly revealed in the adatom-dominated…
Effective Lagrangians suitable for a relativistic Hartree-Fock description of nuclear systems are presented. They include the 4 effective mesons $\sigma, \omega, \rho$ and $\pi$ with density-dependent meson-nucleon couplings. The criteria…
In the framework of the first Born approximation, we present a semirelativistic theoretical study of the inelastic excitation ($1s_{1/2}\longrightarrow 2s_{1/2}$) of hydrogen atom by electronic impact. The incident and scattered electrons…
While the large paramagnetic response measured in certain ensembles of metallic nanoparticles has been assigned to orbital effects of conduction electrons, the spin-orbit coupling has been pointed out as a possible origin of the anomalously…
The collisional coupling of relativistic electrons and non-relativistic ions in hot plasmas has been analysed. It is found that relativistic effects produce a new feature: while the condition T_e<3T_i guarantees a stable collisional…