Related papers: Current-spin-density functional study of persisten…
Using the polarizability of a free electron gas in a magnetic field and the Current-Density Functional Theory (CDFT) developed by Vignale and Rasolt, we derive the gradient and current corrections for the energy functional of a non-uniform…
We cure the lack of spin torque in semilocal exchange-correlation (XC) functionals by treating XC effects in the framework of spin-current-density-functional theory (SCDFT), and present the implementation of the first kind of this novel…
We study the persistent currents induced by the Aharonov-Bohm effect in a closed ring which either embeds or is directly side coupled to a quantum dot at Kondo resonance. We predict that in both cases, the persistent current is very…
The dynamics of a many-body system coupled to an external environment represents a fundamentally important problem. To this class of open quantum systems pertains the study of energy transport and dissipation, dephasing, quantum measurement…
We calculate the average persistent current in a normal conducting, mesoscopic ring in the diffusive regime. In the presence of magnetic impurities, a contribution to the persistent current is identified, which is related to fluctuations in…
Quantum mechanics predicts that the equilibrium state of a resistive electrical circuit contains a dissipationless current. This persistent current has been the focus of considerable theoretical and experimental work, but its basic…
A cornerstone of current-density functional theory (CDFT) in its paramagnetic formulation is proven. After a brief outline of the mathematical structure of CDFT, the lower semi-continuity and expectation valuedness of the CDFT…
The accurate theoretical description of materials with strongly correlated electrons is a formidable challenge in condensed matter physics and computational chemistry. Dynamical Mean Field Theory (DMFT) is a successful approach that…
We use analytic (current) density-potential maps of time-dependent (current) density functional theory (TD(C)DFT) to inverse engineer analytically solvable time-dependent quantum problems. In this approach the driving potential (the control…
Persistent currents in disordered mesoscopic rings threaded by a magnetic flux are calculated using exact diagonalization methods in the one-dimensional (1D) case and self-consistent Hartree-Fock treatments for two dimensional (2D) systems.…
We investigate the effect of measurement on the persistent current density in a lattice ring penetrated by an Aharonov-Bohm flux and coupled to a quantum dot which is continuously monitored by a point contact detector. It is demonstrated by…
Modern applications of Covariant Density Functional Theory (CDFT) are discussed. First we show a systematic investigation of fission barriers in actinide nuclei within constraint relativistic mean field theory allowing for triaxial…
Density functional theory (DFT) provides a theoretical framework for efficient and fairly accurate calculations of the electronic structure of molecules and crystals. The main features of density functional theory are described and DFT…
We consider an integrable model of a one-dimensional mesoscopic ring with the conduction electrons coupled by a spin exchange to a magnetic impurity. A symmetry analysis based on a Bethe Ansatz solution of the model reveals that the current…
Using the self-consistent Hartree-Fock approximation for spinless electrons at zero temperature, we study the persistent current of the interacting electron gas in a one-dimensional continuous ring containing a single $\delta$ barrier. We…
This article reviews steady-state spin densities and spin currents in materials with strong spin-orbit interactions. These phenomena are intimately related to spin precession due to spin-orbit coupling which has no equivalent in the steady…
A previously proposed non-canonical coupled-perturbed Kohn-Sham density functional theory (KS-DFT)/Hartree-Fock (HF) treatment for spin-orbit coupling is here generalized to infinite periodic systems. The scalar-relativistic periodic…
The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual basis for a full characterization of an electronic system in its ground state by just the one-body particle density. In this Part~II of a…
We propose an in-silico experiment to introduce classical density functional theory (cDFT). Den- sity functional theories, whether quantum or classical, rely on abstract concepts that are non- intuitive. However, they are at the heart of…
The standard model of classical Density Functional Theory for pair potentials consists of a hard-sphere functional plus a mean-field term accounting for long ranged attraction. However, most implementations using sophisticated Fundamental…