Related papers: Charge transfer through molecular junctions within…

This mini review focuses on conductance measurements through molecular junctions containing few tens of molecules, which are fabricated along two approaches: (i) conducting atomic force microscope contacting a self-assembled monolayers on…

We use optimal control theory to construct external electric fields which coherently transfer the electronic charge in a double quantum-dot system. Without truncation of the eigenstates we operate on desired superpositions of the states in…

Nonequilibrium quantum transport is of central importance in nanotechnology. Its description requires the understanding of strong electronic correlations, which couple atomic-scale phenomena to the nanoscale. So far, research in correlated…

We give a further step in the quantum mechanical description of engineered atomic spin structures by deriving a master equation of the Redfield type that governs the dynamics of the atomic spin density matrix. By generalizing this approach…

We analyze the local level occupation of a spinless, interacting two-level quantum dot coupled to two leads by means of Wilson's numerical renormalization group method. A gate voltage sweep, causing a rearrangement of the charge such that…

Ab-initio simulations of quantum transport commonly focus on a central region which is considered to be connected to infinite, periodic leads through which the current flows. The electronic structure of these distant leads is normally…

Nonlinear transport through a quantum dot is studied in the limit of weak and strong intra-dot Coulomb interaction. For the latter regime the nonequilibrium self-consistent mean field equations for energies and spectral weights of…

The properties of the first-order phase transition in a set of plasma models with common feature - absence of individual correlations between charges of op-posite sign, have been studied. Predicted discontinuities in equilibrium non-uniform…

Radiative decay processes at cold and ultra cold temperatures for Sulfur atoms colliding with protons are investigated. The MOLPRO quantum chemistry suite of codes was used to obtain accurate potential energies and transition dipole…

The phenomenology of charge transport in synthetic metals is reviewed. It is argued that the conventional quasiparticle picture and Boltzmann transport theory do not apply to these materials. The central ideas of Fermi liquid theory are…

The effects of water wetting conditions on the transport properties of molecular nano-junctions are investigated theoretically by using a combination of classical molecular dynamics and first principles electronic transport calculations.…

We derive a closed equation of motion for the one particle density matrix of a quantum system coupled to multiple baths using the Redfield master equation combined with a mean-field approximation. The steady-state solution may be found…

We derive a nonperturbative bound on the distance between evolutions of open quantum systems described by time-dependent generators. We show how this result can be employed to provide an explicit upper bound on the error of the…

We present a consistent theory of energy balance and conversion in a single-molecule junction with strong interactions between electrons on the molecular linker (dot) and phonons in the nuclear environment where the Marcus-type electron…

Transport properties of molecular junctions are notoriously expensive to calculate with ab initio methods, primarily due to the semi-infinite electrodes. This has led to the introduction of different approximation schemes for the…

The article presents results of discrete thermodynamics (DTD) basic application to electrochemical systems. Consistent treatment of the electrochemical system as comprising two interacting subsystems - the chemical and the electrical…

Coupled quantum dots are potential candidates for qubit systems in quantum computing. We use a non-invasive voltage probe to study the evolution of a coupled dot system from a situation where the dots are coupled to the leads to a situation…

Spin and charge transport through a quantum dot coupled to external nonmagnetic leads is analyzed theoretically in terms of the non-equilibrium Green function formalism based on the equation of motion method. The dot is assumed to be…

We describe a quantum electromechanical system(QEMS) comprising a single quantum dot harmonically bound between two electrodes and facilitating a tunneling current between them. An example of such a system is a fullerene molecule between…

Whether at phenomenological or microscopic levels, most theoretical approaches to charge transport through molecular junctions postulate or attempt to justify microscopically the existence of a dominant molecular orbital (MO). Within such…