Related papers: Relativistic corrections in magnetic systems
We lay out the extension of range-separated density-functional theory to a four-component relativistic frame-work using a Dirac-Coulomb-Breit Hamiltonian in the no-pair approximation. This formalism combines a wave-function method for the…
The exchange-correlation energy in Kohn-Sham density functional theory can be expressed exactly in terms of the change in the expectation of the electron-electron repulsion operator when, in the many-electron hamiltonian, this same operator…
The magnetoresistance (MR) for relativistic electrons, i.e., the Dirac electrons in solids, is investigated on the basis of the Boltzmann's theory. The new formula of MR so obtaiend includes a relativistic correction, which has not appeared…
In approximate Kohn-Sham density-functional theory, self-interaction manifests itself as the dependence of the energy of an orbital on its fractional occupation. This unphysical behavior translates into qualitative and quantitative errors…
The gravitational effects in the relativistic quantum mechanics are investigated. The exact Foldy-Wouthuysen transformation is constructed for the Dirac particle coupled to the static spacetime metric. As a direct application, we analyze…
The similarity renormalization group is used to transform Dirac Hamiltonian into a diagonal form, which the upper (lower) diagonal element becomes an operator describing Dirac (anti-)particle. The eigenvalues of the operator are verfied to…
Spin-orbit dynamics and relativistic corrections to the kinetic energy in strong-field dynamics, have long been ignored for near- and mid-IR fields with intensities $10^{13}$--$10^{14}$ W/cm$^2$, as the final photoelectron energies are…
Seeking for a relativistic generalisation of the non-relativistic Schroedinger equation, one very soon arrives at equations with a square-root operator by having applied the quantum mechanical correspondence principle to the formula of…
This paper is devoted to a study of relativistic eigenstates of Dirac particles which are simultaneously bound by a static Coulomb potential and added linear confining potentials. It has recently been shown that, despite the addition of…
Kohn-Sham regularizer (KSR) is a differentiable machine learning approach to finding the exchange-correlation functional in Kohn-Sham density functional theory (DFT) that works for strongly correlated systems. Here we test KSR for weak…
Electrons in materials containing heavy elements are fundamentally relativistic and should in principle be described using the Dirac equation. However, the current standard for treatment of electrons in such materials involves density…
The Mashhoon rotation-spin coupling is studied by means of the parallelism description of general relativity. The relativistic rotational tetrad is exploited, which results in the Minkowski metric, and the torsion axial-vector and Dirac…
Kohn-Sham (KS) formalism of Density Functional Theory is modified to include the systems with strong non-dynamic electron correlation. Unlike in extended KS and broken symmetry unrestricted KS formalisms, cases of both singlet-triplet and…
A rigorous derivation of the density functional in the Hohenberg-Kohn theory is presented. With no assumption regarding the magnitude of the electric coupling constant $e^2$ (or correlation), this work provides a firm basis for…
The world-line (Fock-Feynman-Schwinger) representation is used for quarks in arbitrary (vacuum and valence gluon) field to construct the relativistic Hamiltonian. After averaging the Green's function of the white $q\bar q$ system over gluon…
The low-energy amplitude of Compton scattering on the bound state of two charged particles of arbitrary masses, charges and spins is calculated. A case in which the bound state exists due to electromagnetic interaction (QED) is considered.…
We discuss two different methods of obtaining ``effective $2 \times 2$ Hamiltonians'' of the electromagnetic interaction which include relativistic corrections. One is the standard Foldy--Wouthuysen transformation which we compare with the…
This paper presents the derivation of a kinetic-balance condition for explicitly correlated basis functions employed in semi-classical relativistic calculations. Such a condition is important to ensure variational stability in algorithms…
We show how to approximate Dirac dynamics for electronic initial states by semi- and non-relativistic dynamics. To leading order, these are generated by the semi- and non-relativistic Pauli hamiltonian where the kinetic energy is related to…
Weak localization corrections to conductivity of ferromagnetic systems are studied theoretically in the case when spin-orbit interaction plays a significant role. Two cases are analyzed in detail: (i) the case when the spin-orbit…