Related papers: Density functional theory of spin-polarized disord…
Two forms of relativistic density functional are derived from Dirac equation. Based on their structure analysis model of split electron is proposed. In this model electric charge and mass of electron behave like two point-like particles. It…
We propose a theoretical and computational approach to investigate temporal behavior of a nonlinear polarization in perturbative regime induced by an intense and ultrashort pulsed electric field. First-principles time-dependent density…
We develop a semiclassical density functional theory in the context of quantum dots. Coulomb blockade conductance oscillations have been measured in several experiments using nanostructured quantum dots. The statistical properties of these…
Density functional theory (DFT) embedding provides a formally exact framework for interfacing correlated wave-function theory (WFT) methods with lower-level descriptions of electronic structure. Here, we report techniques to improve the…
We have performed collinear and non collinear calculations on neutral Bi4Mn, and collinear ones on ionized Bi4Mn with charges +1 and -1 to find out why theoretical calculations will not predict the magnetic state found in the experiment. We…
Using the newly introduced theory of finite-temperature reduced density matrix functional theory, we apply the first-order approximation to the homogeneous electron gas. We consider both collinear spin states as well as symmetry broken…
The energy relaxation in the spin-polarized disordered electron systems is studied in the diffusive regime. We derived the quantum kinetic equation in which the kernel of electron-electron collision integral explicitly depends on the…
The effect of electron-electron scattering on the equilibrium properties of few-electron quantum dots is investigated by means of nonequilibrium Green's functions theory. The ground and equilibrium state is self-consistently computed from…
A density-functional theory is developed based on the Maxwell--Schr\"odinger equation with an internal magnetic field in addition to the external electromagnetic potentials. The basic variables of this theory are the electron density and…
A real space diagrammatic method, which is an extension of the Berezinskii technique to problems with periodic boundary condition, is formulated to study the density of states (DOS) \rho(\epsilon,\phi) and its moments for a one-channel…
We apply the Wigner function formalism to derive drift-diffusion transport equations for spin-polarized electrons in a III-V semiconductor single quantum well. Electron spin dynamics is controlled by the linear in momentum spin-orbit…
We present a new theory for partitioning simulations of periodic and solid-state systems into physically sound atomic contributions at the level of Kohn-Sham density functional theory. Our theory is based on spatially localized linear…
We derive the gradient expansion for the exchange energy of a spin-polarized electron gas by perturbing the uniformly spin polarized state and thus inducing a small non-collinearity that is slowly varying in space. We show that the…
We investigate coherent transport through open lateral quantum dots using recursive Green's function technique, incorporating exchange-correlation effects within local spin-density approximation (LSDA). At low electron densities the current…
We demonstrate the existence of different density-density functionals designed to retain selected properties of the many-body ground state in a non-interacting solution starting from the standard density functional theory ground state. We…
A density functional theory of ferromagnetism in heterostructures of compound semiconductors doped with magnetic impurities is presented. The variable functions in the density functional theory are the charge and spin densities of the…
Eigenstates in finite systems such as nuclei, atoms, atomic clusters and quantum dots with few excited particles are chaotic superpositions of shell model basis states. We study criterion for the equilibrium distribution of basis components…
We employ density functional theory to study in detail the crystallization of super-paramagnetic particles in two dimensions under the influence of an external magnetic field that lies perpendicular to the confining plane. The field induces…
We present a microscopic theory of zero-temperature order parameter and pseudospin stiffness reduction due to quantum fluctuations in the ground state of double-layer quantum Hall ferromagnets. Collective excitations in this systems are…
Based on exact limits and quantum Monte Carlo simulations, we obtain, at any density and spin polarization, an accurate estimate for the energy of a modified homogeneous electron gas where electrons repel each other only with a long-range…