Related papers: Level occupation switching with density functional…
The single-impurity Anderson model has been the focus of theoretical studies of molecular junctions and the single-electron transistor, a nanostructured device comprising a quantum dot that bridges two otherwise decoupled metallic leads.…
At zero temperature, the Landauer formalism combined with static density functional theory is able to correctly reproduce the Kondo plateau in the conductance of the Anderson impurity model provided that an exchange-correlation potential is…
We employ the density matrix renormalization group to construct the exact time-dependent exchange correlation potential for an impurity model with an applied transport voltage. Even for short-ranged interaction we find an infinitely…
We study the low-temperature transport properties of the systems of parallel quantum dots described by the N-impurity Anderson model. We calculate the quasiparticle scattering phase shifts, spectral functions and correlations as a function…
For a variety of quantum dots, the widths of different single-particle levels may naturally differ by orders of magnitude. In particular, the width of one strongly coupled level may be larger than the spacing between other, very narrow,…
The exact ground-state exchange-correlation functional of Kohn-Sham density functional theory yields the exact transmission through an Anderson junction at zero bias and temperature. The exact impurity charge susceptibility is used to…
The recently proposed density functional theory for steady-state transport (i-DFT) is extended to include temperature gradients between the leads. Within this framework, a general and exact expression is derived for the linear Seebeck…
We study the interacting, symmetrically coupled single impurity Anderson model. By employing the nonequilibrium Green's function formalism, we establish an exact relationship between the steady-state charge current flowing through the…
We study the Kondo effect and related transport properties in orbitally degenerate vertical quantum dot systems with plural electrons. Applying the non-crossing approximation to the three-orbital Anderson impurity model with the finite…
We introduce a machine-learning density-functional-theory formalism for the spinless Hubbard model in one dimension at both zero and finite temperature. In the zero-temperature case this establishes a one-to-one relation between the site…
We study the occupation of two electrostatically-coupled single-level quantum dots with spinless electrons as a function of gate voltage. While the total occupation of the double-dot system varies monotonically with gate voltage, we predict…
The non-relativistic interacting electron gas in an external field of positively charged massive cores is dealt with in the scheme of second quantization. Ladder operators that change between stationary states of contiguous energy…
A new theoretical method is introduced to study coherent electron transport in an interacting multilevel quantum dot. The method yields the correct behavior both in the limit of weak and strong coupling to the leads, giving a unified…
The role of electron-electron interaction in transport properties of open quantum dots is studied. The self-consistent full quantum mechanical magnetotransport calculations within the Hartree, Density Functional Theory and Thomas-Fermi…
Analytical and continuous-time quantum Monte Carlo methods are used to investigate the possibility of occupation switching and quantum criticality in a model of two quantum impurities coupled to two leads. A general discussion of potential…
We derive the transport properties of a quantum dot subject to a source-drain bias voltage at zero temperature and magnetic field. Using the Scattering Bethe Anstaz, a generalization of the traditional Thermodynamic Bethe Ansatz to open…
The transport properties of a double quantum-dot device with one of the dots coupled to perfect conductors are analyzed using the numerical renormalization group technique and slave-boson mean-field theory. The coupling between the dots…
Explicitly orbital-dependent approximations to the exchange-correlation energy functional of density functional theory typically not only depend on the single-particle Kohn-Sham orbitals but also on their occupation numbers in the ground…
We describe linear and nonlinear transport across a single impurity Anderson model quantum dot with intermediate coupling to the leads, i.e., with tunnel coupling of the order of the thermal energy k_B T. The coupling is large enough that…
It is the intention of this paper to rigorously clarify the role of the occupation numbers in the current practical applications of the density functional formalism. In these calculations one has to decide how to distribute a given, fixed…