相关论文: Density functional description of Coulomb blockade…

While in principle exact, Kohn-Sham density functional theory -- the workhorse of computational chemistry -- must rely on approximations for the exchange-correlation functional. Despite staggering successes, present-day approximations still…

The influence of electron-electron (e-e) interactions on the transmission through a quantum dot is investigated numerically for the Coulomb blockade regime. For vanishing magnetic fields, the conductance peak height statistics is found to…

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…

We develop a theory of the conductance of a quantum dot connected to two leads by single-mode quantum point contacts. If the contacts are in the regime of perfect transmission, the conductance shows no Coulomb blockade oscillations as a…

The derivative discontinuity of the exchange-correlation functional of density-functional theory is cast as the difference of two types of electron affinities. We show that standard Kohn-Sham calculations can be used to calculate both…

The influence of high-frequency fields on quantum transport through a quantum dot is studied in the low-temperature regime. We generalize the non crossing approximation for the infinite-U Anderson model to the time-dependent case. The dc…

We review mechanisms of low-temperature electronic transport through a quantum dot weakly coupled to two conducting leads. Transport in this case is dominated by electron-electron interaction. At temperatures moderately lower than the…

We discuss energy densities in the strong-interaction limit of density functional theory, deriving an exact expression within the definition (gauge) of the electrostatic potential of the exchange-correlation hole. Exact results for small…

We investigate non-equilibrium transport properties of a quantum dot in the Coulomb blockade regime under the condition of negligible inelastic scattering during the dwelling time of the electrons in the dot. Using the quantum kinetic…

We investigate theoretically the transport properties of the side-coupled double quantum dots in connection with the experimental study of Sasaki {\it et al.} Phys.Rev.Lett.{\bf 103}, 266806 (2009). The novelty of the set-up consists in…

We demonstrate that the zero-temperature conductance of the Anderson model can be calculated within the Landauer formalism combined with static density functional theory (DFT). The proposed approximate functional is based on…

We generalize the exact strong-interaction limit of the exchange-correlation energy of Kohn-Sham density functional theory to open systems with fluctuating particle numbers. When used in the self-consistent Kohn-Sham procedure on…

We determine the zero-bias anomaly of the conductance of tunnel junctions by an approach unifying the conventional Coulomb blockade theory for ultrasmall junctions with the diffusive anomalies in disordered conductors. Both,…

We present and test a new approximation for the exchange-correlation (xc) energy of Kohn-Sham density functional theory. It combines exact exchange with a compatible non-local correlation functional. The functional is by construction free…

We study the Coulomb blockade of tunneling through a double quantum dot. The temperature dependence of the linear conductance is strongly affected by the inter-dot tunneling. As the tunneling grows, a crossover from temperature-independent…

Transport measurements at cryogenic temperatures through a few electron top gated quantum dot fabricated in a silicon/silicon-germanium heterostructure are reported. Variations in gate voltage induce a transition from an isolated dot toward…

The role of energy exchange between a quantum system and its environment is investigated from the perspective of the Onsager conductance matrix. We consider the thermoelectric linear transport of an interacting quantum dot coupled to two…

We find an analytical expression for the conductance of a single electron transistor in the regime when temperature, level spacing, and charging energy of a grain are all of the same order. We consider the model of equidistant energy levels…

We identify peak and valley structures in the exact exchange-correlation potential of time-dependent density functional theory that are crucial for time-resolved electron scattering in a model one-dimensional system. These structures are…

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…