Related papers: Exchange-correlation orbital functionals in curren…
Implicit and explicit density functionals for the exchange energy in finite two-dimensional systems are developed following the approach of Becke and Roussel [Phys. Rev. A 39, 3761 (1989)]. Excellent agreement for the exchange-hole…
A composite multiferroic chain with an interfacial linear magneto-electric coupling is used to study the magnetic and electric responses to an external magnetic or electric field. The simulation uses continuous spin dynamics through the…
We develop a theory for charge and spin current between two canted magnetic leads flowing through a quantum dot with an arbitrary local interaction. For a noncollinear magnetic configuration, we calculate equilibrium and nonequilibrium…
Quantum optimal control theory is a powerful tool for engineering quantum systems subject to external fields such as the ones created by intense lasers. The formulation relies on a suitable definition for a target functional, that…
We develop an ensemble density functional theory for the fractional quantum Hall effect using a local density approximation. Model calculations for edge reconstructions of a spin-polarized quantum dot give results in good agreement with…
The physics of quantum dots is succinctly depicted by the {\it Universal Hamiltonian}, where only zero mode interactions are included. In the case where the latter involve charging and isotropic spin-exchange terms, this would lead to a…
We theoretically investigate quantum spin transfer from spin-correlated conduction-electron pairs to localized spins in a ferromagnet, given that electrons are correlated intrinsically. We show that even spin-singlet pairs and triplet pairs…
Based on Green's function formalism, the existence of multiple mobility edges in a one-dimensional magnetic-non-magnetic superlattice geometry in presence of external electric field is predicted, and, it leads to the possibility of getting…
We study the effect of spin-orbit interaction and in-plane effective magnetic field on the conductance of a quasi-one-dimensional ballistic electron system. The effective magnetic field includes the externally applied field, as well as the…
The Hohenberg-Kohn theorem of density functional theory (DFT) for the case of electrons interacting with an external magnetic field (that couples to spin only) is examined in more detail than previously. A unexpected generalization is…
A description of non-collinear magnetism in the framework of spin-density functional theory is presented for the exact exchange energy functional which depends explicitly on two-component spinor orbitals. The equations for the effective…
Spin-entanglement of two electrons occupying two spatial regions -- domains -- is expressed in a compact form in terms of spin-spin correlation functions. The power of the formalism is demonstrated on several examples ranging from…
The orbital and spin magnetization of a cavity-embedded quantum dot array defined in a GaAs heterostructure are calculated within quantum-electrodynamical density-functional theory (QEDFT). To this end a gradient-based exchange-correlation…
For a double quantum dot system in a parallel geometry, we demonstrate that by combining the effects of a flux and driving an electrical current through the structure, the spin correlations between electrons localized in the dots can be…
The multi-component density functional theory is faced with the challenge of capturing various types of inter- and intra-particle exchange-correlation effects beyond those introduced by the conventional electronic exchange-correlation…
We have calculated the exchange, correlation, and total electronic energy of a realistic InAs self-assembled quantum dot embedded in a GaAs matrix as a function of the number of electrons in the dot. The many-body interactions have been…
The longitudinal dipole response of a quantum dot has been calculated in the far-infrared regime using local spin density functional theory. We have studied the coupling between the collective spin and density modes as a function of the…
We present a method which computes many-electron energies and eigenfunctions by a full configuration interaction which uses a basis of atomistic tight-binding wave functions. This approach captures electron correlation as well as atomistic…
We extend some of the well established self-interaction correction (SIC) schemes of density-functional theory to the case of systems with noncollinear magnetism. Our proposed SIC schemes are tested on a set of molecules and metallic…
We use the exact strong-interaction limit of the Hohenberg-Kohn energy density functional to approximate the exchange-correlation energy of the restricted Kohn-Sham scheme. Our approximation corresponds to a highly non-local density…