Related papers: Level occupation switching with density functional…
Thermoelectric transport phenomena in a single-level quantum dot coupled to ferromagnetic leads are considered theoretically in the Kondo regime. The dot is described by the Anderson model with Rashba type spin-orbit interaction. The…
State-of-the-art simulation tools for non-equilibrium quantum transport systems typically take the current-carrier occupations to be described in terms of equilibrium distribution functions characterised by two different electro-chemical…
The many-body Monte Carlo method is used to evaluate the frequency dependent conductivity and the average mobility of a system of hopping charges, electronic or ionic on a one-dimensional chain or channel of finite length. Two cases are…
Recently, it has been suggested that operational properties connected to quantum computation can be alternative indicators of quantum phase transitions. In this work we systematically study these operational properties in 1D systems that…
We investigate the effect of local Coulomb correlations on electronic transport through a variety of coupled quantum dot systems connected to Fermi liquid leads. We use a newly developed functional renormalization group scheme to compute…
By means of a diagram technique for Hubbard operators we show the existence of a spin-dependent renormalization of the localized levels in an interacting region, e.g. quantum dot, modeled by the Anderson Hamiltonian with two conduction…
A detailed study of the low-temperature physics of an interacting double quantum dot system in a T-shape configuration is presented. Each quantum dot is modeled by a single Anderson impurity and we include an inter-dot electron-electron…
Stable organic radicals integrated into molecular junctions represent a practical realization of the single-orbital Anderson impurity model. Motivated by recent experiments for perchlorotriphenylmethyl (PTM) molecules contacted to gold…
Electron transfer with changing occupation in the 4f subshell poses a considerable challenge for quantitative predictions in quantum chemistry. Using the example of cerium oxide, we identify the main deficiencies of common…
Typical density functional theory (DFT) and approximations thereto solve the many-electron ground state problem by working from a numerically efficient non-interacting Kohn-Sham reference system; and benefit from useful minimization…
We investigate charge transfer in prototypical molecular donor-acceptor compounds using hybrid density functional theory (DFT) and the GW approximation at the perturbative level (G0W0) and at full self-consistency (sc-GW). For the systems…
The dynamics of a one-dimensional two-component Fermi gas in the presence of a quasi-periodic optical lattice (OL) is investigated by means of a Density Functional Theory approach. Inspired by the protocol implemented in recent cold-atom…
We aim at quantitatively determining transport parameters like conductivity, mean free path, etc., for simple models of spatially completely disordered quantum systems, comparable to the systems which are sometimes referred to as Lifshitz…
Thermoelectric effects in a quantum dot coupled to the source and drain charge reservoirs are explored using a nonequilibrium Green's functions formalism beyond the Hartree-Fock approximation. Thermal transport is analyzed within a linear…
We study a model of interacting fermions in one dimension subject to random, uncorrelated onsite disorder. The model realizes an interaction-driven quantum phase transition between an ergodic and a many-body localized phase (MBL). We…
In this comparative study we benchmark a recently developed non-adiabatic exchange-correlation potential within time-dependent density functional theory (TDDFT) (Phys.\ Rev.\ Lett.\ {\bf 120}, 157701 (2018)) by (a) validating the transient…
Recent experiments have probed quantum dots through transport measurements in the regime where they are described by a two lead Anderson model. In this paper we develop a new method to analytically compute for the first time the…
We study the quench dynamics of an Anderson impurity model using the configuration interaction (CI) method. In particular, we focus on the relaxation behavior of the impurity occupation. The system is found to behave very differently in the…
Density-functional theory simplifies many-electron calculations by approximating the exchange and correlation interactions with a one-electron operator that is a functional of the density. Hybrid functionals incorporate some amount of exact…
We report low-temperature transport measurements through a double quantum dot device in a configuration where one of the quantum dots is coupled directly to the source and drain electrodes, and a second (side-coupled) quantum dot interacts…