Related papers: Level occupation switching with density functional…
We report on low-temperature electronic transport measurements of a silicon metal-oxide-semiconductor quantum dot, with independent gate control of electron densities in the leads and the quantum dot island. This architecture allows the dot…
We have investigated the charge carrier transport in organic molecular semiconductors. It has been found that mobility is a function of electric field and temperature due to hopping conduction. Several theoretical models for charge…
Density functional theory can be extended to excited states by means of a unified variational approach for passive state ensembles. This extension overcomes the restriction of the typical density functional approach to ground states, and…
We compute the ground-state properties of finite systems of neutrons in an external harmonic trap, interacting via the Minnesota potential, using the "exact-exchange" form of orbital-dependent density functional theory. We compare our…
We study transport through strongly interacting quantum dots with $N$ energy levels that are weakly coupled to generic multi-channel metallic leads. In the regime of coherent sequential tunneling, where level spacing and broadening are of…
We study the three-orbital Kondo effect in quantum dot (QD) systems by applying the non-crossing approximation to the three-orbital Anderson impurity model. By investigating the tunneling conductance through a QD, we show that the…
Parametric correlations are studied in several classes of covariant density functional theories (CDFTs) using a statistical analysis in a large parameter hyperspace. In the present manuscript, we investigate such correlations for two…
We introduce a model of quantum teleportation on a channel built on a quantum dot chain. Quantum dots are coupled through hopping and each dot can accept zero, one or two electrons. Vacuum and double occupation states have the same…
We present here novel insight into exchange-correlation functionals in density functional theory, based on the viewpoint of optimal transport. We show that in the case of two electrons and in the semiclassical limit, the exact…
We have recently put forward a steady-state density functional theory (i-DFT) to calculate the transport coefficients of quantum junctions. Within i-DFT it is possible to obtain the steady density on and the steady current through an…
We introduce a novel energy functional for ground-state electronic-structure calculations. Its fundamental variables are the natural spin-orbitals of the implied singlet many-body wave function and their joint occupation probabilities. The…
The interplay between the Kondo effect and the inter-dot magnetic interaction in a coupled-dot system is studied. An exact result for the transport properties at zero temperature is obtained by diagonalizing a cluster, composed by the…
Using the theory of diffusion in graphs, we propose a model to study mesoscopic transport through a diffusive quantum dot. The graph consists of three quasi-1D regions: a central region describing the dot, and two identical left- and right-…
A simple exact-exchange density-functional method for a quasi-two-dimensional electron gas with variable density is presented. An analytical expression for the exact-exchange potential with only one occupied subband is provided, without…
Quantum transport properties through some multilevel quantum dots sandwiched between two metallic contacts are investigated by the use of Green's function technique. Here we do parametric calculations, based on the tight-binding model, to…
We present a density difference based analysis for a range of orbital--dependent Kohn--Sham functionals. Results for atoms, some members of the neon isoelectronic series and small molecules are reported and compared with ab initio…
Ensemble density functional theory extends the usual Kohn-Sham machinery to quantum state ensembles involving ground- and excited states. Recent work by the authors [Phys. Rev. Lett. 119, 243001 (2017); 123, 016401 (2019)] has shown that…
A many-body theory of paramagnetic Kondo insulators is described, focusing specifically on single-particle dynamics, scattering rates, d.c. transport and optical conductivities. This is achieved by development of a non-perturbative local…
We study the thermopower and some related transport quantities due to the orbital Kondo effect in a single quantum dot system with a finite value of Coulomb repulsion by means of the noncrossing approximation applied to the multiorbital…
We consider a triple quantum dot system in a triangular geometry with one of the dots connected to metallic leads. Using Wilson's numerical renormalization group method, we investigate quantum entanglement and its relation to the…