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A many-body theory of molecular junction transport based on nonequilibrium Green's functions is developed, which treats coherent quantum effects and Coulomb interactions on an equal footing. The central quantity of the many-body theory is…
Non-equilibrium Green's function theory for non-adiabatic effects in quantum transport [Kershaw and Kosov, J.Chem. Phys. 2017, 147, 224109 and J. Chem. Phys. 2018, 149, 044121] is extended to the case of interacting electrons. We consider a…
Quantum transport properties through single polycyclic hydrocarbon molecules attached to two metallic electrodes are studied by the use of Green's function technique. A parametric approach based on the tight-binding model is introduced to…
A multi-level Anderson model is employed to simulate the system of a nanostructure tunnel junction with any number of one-particle energy levels. The tunneling current, including both shell-tunneling and shell-filling cases, is…
Theoretical descriptions of non equilibrium dynamics of quantum many-body systems essentially employ either (i) explicit treatments, relying on truncation of the expansion of the many-body wave function, (ii) compressed representations of…
We study the interplay between strong correlations and Markovian dephasing, resulting from monitoring the charge or spin degrees of freedom of a quantum dot described by a dissipative Anderson impurity model. Using the Auxiliary master…
We describe an ab initio method for calculating the electronic structure, electronic transport, and forces acting on the atoms, for atomic scale systems connected to semi-infinite electrodes and with an applied voltage bias. Our method is…
With this work we investigate the stationary nonequilibrium density matrix of current carrying nonequilibrium steady states of in-between quantum systems that are connected to reservoirs. We describe the analytical procedure to obtain the…
We develop a general theory of non-equilibrium states based on the Keldysh formalism, in particular, for charged-particle systems under static uniform electromagnetic fields. The Dyson equation for the uniform stationary state is rewritten…
We investigate the electronic transport through two parallel double quantum dots coupled both capacitively and via a perpendicularly aligned charge qubit. The presence of the qubit leads to a modification of the coherent tunnel amplitudes…
The transport properties of junctions composed of a central region tunnel-coupled to external electrodes are frequently studied within the single-impurity Anderson model with Hubbard on-site interaction. In the present work, we supplement…
We discuss the general transport properties of superconducting quantum point contacts. We show how these properties can be obtained from a microscopic model using nonequilibrium Green function techniques. For the case of a one-channel…
We investigated the peculiarities of non-equilibrium charge configurations in the system of two strongly coupled quantum dots (QDs) weakly connected to the reservoirs in the presence of Coulomb correlations. We revealed that total electron…
Spin-dependent transport through an interacting single-level quantum dot coupled to ferromagnetic leads with non-collinear magnetizations is analyzed theoretically. The transport properties and average spin of the dot are investigated…
The problem of non-linear transport near a quantum phase transition is solved within the Landau theory for the dissipative insulator-superconductor phase transition in two dimensions. Using the non-equilibrium Schwinger round-trip Green…
The system described in this work consists of a quantum dot inserted in a mesoscopic ring threaded by a magnetic flux. Our aim is to present a complete description for this device and to predict the physics of a experiment with these…
We study the differential conductance, spectral density and magnetization, for a quantum dot coupled to two conducting leads as a function of bias voltage, magnetic field and temperature. The system is modeled with the Anderson model solved…
We present a detailed treatment of the nonequilibrium Green's function method for thermal transport due to atomic vibrations in nanostructures. Some of the key equations, such as self-energy and conductance with nonlinear effect, are…
Bound state in continuum (BIC) might appear in open quantum dots for variation of the dot's shape. By means of the equations of motion of Green functions we investigate effect of strong intradot Coulomb interactions on that phenomenon in…
We review one of the most versatile theoretical approaches to the study of time-dependent correlated quantum transport in nano-systems: the non-equilibrium Green's function (NEGF) formalism. Within this formalism, one can treat, on the same…