Related papers: Exchange-correlation orbital functionals in curren…
Motivated by recent experiments, in which the Kondo effect has been observed for the first time in a double quantum-dot structure, we study electron transport through a system consisting of two ultrasmall, capacitively-coupled dots with…
We examine electronic transport in a spin-blockaded double quantum dot. We show that by tuning the strength of the spin-orbit interaction the current flowing through the double dot exhibits a dip at zero magnetic field or a peak at a…
We present and discuss some ideas concerning an ``average-pair-density functional theory'', in which the ground-state energy of a many-electron system is rewritten as a functional of the spherically and system-averaged pair density. These…
In this chapter, we provide a review of ground-state Kohn-Sham density-functional theory of electronic systems and some of its extensions, we present exact expressions and constraints for the exchange and correlation density functionals,…
It is shown how the exchange interaction, the dipole-dipole interaction, and the Dzyaloshinsky-Moriya interaction between electronic spin-density fluctuations emerge naturally from a field-theoretic framework that couples electrons to the…
We consider a Kondo spin that is coupled antiferromagnetically to a large chaotic quantum dot. Such a dot is described by the so-called universal Hamiltonian and its electrons are interacting via a ferromagnetic exchange interaction. We…
We derive an exact representation of the exchange-correlation energy within density functional theory (DFT) which spawns a class of approximations leading to correct long-range asymptotic behavior. In what amounts to be the simplest…
It is shown that the DFT exchange and correlation functionals satisfy an expression that couples exchange and correlation functionals and functional derivatives evaluated at three different densities and for two particle numbers. This…
We present a practical approach to treat static and dynamical correlation accurately in large multi-configurational systems. The static correlation is accounted for using the spin-flip approach which is well known for capturing static…
As a proof of principle, self-consistent Kohn--Sham calculations are performed with the exact exchange-correlation functional. Finding the exact functional for even one trial density requires solving the interacting Schr\"odinger equation…
We perform quantum Monte Carlo simulations of the itinerant-localized periodic Kondo-Heisenberg model for the underdoped cuprates to calculate the associated spin correlation functions. The strong electron correlations are shown to play a…
The optically induced indirect exchange interaction between spins in two quantum dots is investigated theoretically. We present a microscopic formulation of the interaction between the localized spin and the itinerant carriers including the…
Standard approximations for the exchange-correlation functional have been found to give big errors for the linearity condition of fractional charges, leading to delocalization error, and the constancy condition of fractional spins, leading…
Two-dimensional interacting electron systems become strongly correlated if the electrons are subject to a perpendicular high magnetic field. After introducing the physics of the quantum Hall regime the incompressible many- particle ground…
We analyze the various approaches to construct exchange-correlation functionals which are able to describe states of definite spin multiplicity in the DFT realm and outline the characteristics of possible functionals consistent with the…
The zero-temperature magnetic field-dependent conductance of electrons through a one-dimensional non-interacting tight-binding chain with an interacting {\it side} dot is reviewed and analized further. When the number of electrons in the…
The accurate description of open-shell molecules, in particular of transition metal complexes and clusters, is still an important challenge for quantum chemistry. While density-functional theory (DFT) is widely applied in this area, the…
We investigate the effects of electron correlations on the ground state energy and the chemical potential of a droplet confined by a parabolic potential at high magnetic fields. We demonstrate the importance of correlations in estimating…
We present an extensive comparative study of ground-state densities and pair distribution functions for electrons confined in two-dimensional parabolic quantum dots over a broad range of coupling strength and electron number. We first use…
An explicitly orbital-dependent correlation energy functional is proposed, which is to be used in combination with the orbital-dependent exchange energy functional in energy-band calculations. It bears a close resemblance to the…