Related papers: Light-induced current in molecular junctions: Loca…
An AC electric field applied to a junction comprising two spin-orbit coupled weak links connecting a quantum dot to two electronic terminals is proposed to induce a DC current and to generate a voltage drop over the junction if it is a part…
A direct numerical algorithm for solving the time-nonlocal non-Markovian master equation in the second Born approximation is introduced and the range of utility of this approximation, and of the Markov approximation, is analyzed for the…
The field of molecular electronics has emerged from efforts to understand electron propagation through single molecules and to use them in electronic circuits. Serving as a testbed for advanced theoretical methods, it reveals a significant…
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…
Coupling of electron heat conduction and magnetic field takes significant effects in inertial confinement fusion (ICF). As the nonlocal models for electron heat conduction have been developed for modeling kinetic effects on heat flux in…
The geometry-dependent energy transfer rate from an electrically pumped inorganic semiconductor quantum well into an organic molecular layer is studied theoretically. We focus on F\"orster-type nonradiative excitation transfer between the…
Experimental studies on single-molecule junctions are typically in need of a simple theoretical approach that can reproduce or be fitted to experimentally measured transport data. In this context, the single-level variant of the Landauer…
Nonlinear phenomena of lepton-photon interactions in external backgrounds with a generalised periodic plane-wave geometry are studied. We discuss nonlinear Compton scattering in head-on lepton-photon collisions extended properly to beyond…
The transport properties of a octane-dithiol (ODT) molecule coupled to Au(001) leads are analyzed using density functional theory and non-equilibrium Green functions. It is shown that a symmetric molecule can turn into a diode under…
State-of-the-art numerical simulations of quantum electrodynamical (QED) processes in strong laser fields rely on a semiclassical combination of classical equations of motion and QED rates, which are calculated in the locally constant field…
The effect of non-equilibrium constraints and dephasing on the circulating currents in molecular junctions are analyzed. Circulating currents are manifestations of quantum effects and can be induced either by externally applied bias or an…
We present a pedagogical review of current density simulation in molecular junction models indicating its advantages and deficiencies in analysis of local junction transport characteristics. In particular, we argue that current density is a…
Interaction of a strong laser pulse with matter transfers not only energy but also linear momentum of the photons. Recent experimental advances have made it possible to detect the small amount of linear momentum delivered to the…
We propose a local, O(N) molecular dynamics algorithm for the simulation of charged systems. The long ranged Coulomb potential is generated by a propagating electric field that obeys modified Maxwell equations. On coupling the…
We analyze quantum charge pumping in an open ring with a dot embedded in one of its arms. We show that cyclic driving of the dot levels by a \textit{single} parameter leads to a pumped current when a static magnetic flux is simultaneously…
We discuss a two-fold extension of QED assuming the presence of strong external fields provided by an ultra-intense laser and noncommutativity of spacetime. While noncommutative effects leave the electron's intensity induced mass shift…
We show that when a molecular junction is under an external bias, its properties can not be uniquely determined by the total electron density in the same manner as the density functional theory (DFT) for ground state (GS) properties. In…
Electromagnetic fields with complex spatial variation routinely arise in Nature. We study the response of a small molecule to monochromatic fields of arbitrary three-dimensional geometry. First, we consider the allowed configurations of the…
Molecular dynamics simulations, with full Coulomb interaction and self-consistent field emission, are used to examine mutual space-charge interactions between beams originating from several emitter areas, in a planar infinite diode. The…
The numerical solutions of nonlocal and local Boltzmann kinetic equations for the simulation of peripheral and central heavy ion reactions are compared. The experimental finding of enhancement of mid-rapidity matter shows the necessity to…