相关论文: Beyond Marcus theory and the Landauer-Buttiker app…

We consider the scattering matrix approach to quantum electron transport in meso- and nano-conductors. This approach is an alternative to the more conventional kinetic equation and Green's function approaches, and often is more efficient…

We compare the Landauer, Kubo, and microcanonical [J. Phys. Cond. Matter {\bf 16}, 8025 (2004)] approaches to quantum transport for the average current, the entanglement entropy and the semiclassical full-counting statistics (FCS). Our…

When combining lumped mesoscopic electronic components to form a circuit, quantum fluctuations of electrical quantities lead to a non-linear electromagnetic interaction between the components that is not generally understood. The…

This report presents a new approach for treating the coupling of electrons and nuclei in quantum mechanical calculations for molecules and condensed matter. It includes the standard "Born-Oppenheimer approximation" as a special case but…

Bloch-Boltzmann transport theory fails to describe the carrier diffusion in current crystalline organic semiconductors, where the presence of large-amplitude thermal molecular motions causes substantial dynamical disorder. The charge…

Electron transport is theoretically investigated in a molecular device made of anthracene molecule attached to the electrodes by thiol end groups in two different configurations (para and meta, respectively). Molecular system is described…

The semi-classical Bloch-Boltzmann theory is at the heart of our understanding of conduction in solids, ranging from metals to semi-conductors. Physical systems that are beyond the range of applicability of this theory are thus of…

We present recent advances in Density Functional Theory (DFT) for applications to the field of quantum transport, with particular emphasis on transport through strongly correlated systems. We review the foundations of the popular…

We formalize the derivation of a generalized coarse-graining $n$-resolved master equation by introducing a virtual detector counting the number of transferred charges in single-electron transport. Our approach enables the convenient…

The Landauer-Butikker formalism is an important formalism to study mesoscopic systems. Its validity for linear transport is well established theoretically as well as experimentally. Akkermans et al [Phys. Rev. Lett. {\bf 66}, 76 (1991)] had…

Recent experiments have probed quantum dots through transport measurements in the regime where they are described by a two lead Anderson model. In this paper we develop a new method to analytically compute for the first time the…

A self-consistent method for calculating electron transport through a molecular device is proposed. It is based on density functional theory electronic structure calculations under periodic boundary conditions and implemented in the…

We propose a model for a molecular motor in a molecular electronic junction driven by a natural manifestation of Landauer's blowtorch effect. The effect emerges via the interplay of the electronic friction and diffusion coefficients, each…

We present a general method for calculating coherent electronic transport in quantum wires and tunnel junctions. It is based upon a real space high order finite difference representation of the single particle Hamiltonian and wave…

Molecular conduction operating in dielectric solvent environments are often described using kinetic rates based on Marcus theory of electron transfer at a molecule-metal electrode interface. However, the successive nature of charge transfer…

In addition to the well-known Landauer-Buttiker scattering theory and the nonequilibrium Green's function technique for mesoscopic transports, an alternative (and very useful) scheme is quantum master equation approach. In this article, we…

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…

Bloch-type equations for description of coherent transport in mesoscopic systems are applied for a study of the continuous measurement process. Both the detector and the measured system are described quantum mechanically. It is shown that…

We introduce an energy-resolved variant of quantum thermodynamics for open systems strongly coupled to their baths. The approach generalizes the Landauer-Buttiker inside-outside duality method [Phys. Rev. Lett. 120, 107701 (2018)] to…

The Landauer formula provides a general scattering formulation of electrical conduction. Despite its utility, it has been mainly applied to the linear-response regime, and a scattering theory of nonlinear response has yet to be fully…