Related papers: Current-carrying molecules: a real space picture
We describe some general results that constrain the dynamical fluctuations that can occur in non-equilibrium steady states, with a focus on molecular dynamics. That is, we consider Hamiltonian systems, coupled to external heat baths, and…
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…
We study the model of a molecular switch comprised of a molecule with a soft vibrational degree of freedom coupled to metallic leads. In the presence of strong electron-ion interaction, different charge states of the molecule correspond to…
For the description of the transport of electrons across a quantum dot, which is tunnel coupled to leads at different chemical potentials, it is usual to assume that the total Hamiltonian of the composite system of the leads and the quantum…
The electron tunneling through a molecular junction modeled by a single site weakly coupled to two leads is studied in the presence of a time-dependent external field using a master equation approach. In the case of small bias voltages and…
We propose a new method for simulating electron dynamics in open quantum systems out of equilibrium, using a finite atomistic model. The proposed method is motivated by the intuitive and practical nature of the driven Liouville von-Neumann…
We study a general problem of the translational/rotational/vibrational/electronic dynamics of a diatomic molecule exposed to an interaction with an arbitrary external electromagnetic field. The theory developed in this paper is relevant to…
Evaluating the time-dependent dynamics of driven open quantum systems is relevant for a theoretical description of many systems, including molecular junctions, quantum dots, cavity-QED experiments, cold atoms experiments and more. Here, we…
We propose a quantum Hamiltonian for a transmission line with charge discreteness. The periodic line is composed of an inductance and a capacitance per cell. In every cell the charge operator satisfies a nonlinear equation of motion because…
The balances of particles and charges in the volume of parallel-plane ionization chamber are considered. Differential equations describing the distribution of current densities in the chamber volume are obtained. As a result of the…
By modeling a dielectric medium with two independent reservoirs, i.e., electric and magnetic reservoirs, the electromagnetic field is quantized in a linear dielectric medium consistently. A Hamiltonian is proposed from which using the…
Electron transmission through molecules and molecular interfaces has been a subject of intensive research due to recent interest in electron transfer phenomena underlying the operation of the scanning tunneling microscope (STM) on one hand,…
Upon combining Northrop's picture of charged particle motion with modern liquid crystal theories, this paper provides a new description of guiding center dynamics (to lowest order). This new perspective is based on a rotation gauge field…
Coherent resonant tunneling through an artificial molecule of quantum dots in an inhomogeneous magnetic field is investigated using an extended Hubbard model. Both the multiterminal conductance of an array of quantum dots and the persistent…
We discuss constants of motion of a particle under an external field in a curved spacetime, taking into account the Hamiltonian constraint which arises from reparametrization invariance of the particle orbit. As the necessary and sufficient…
Current simulations of ultraviolet-visible absorption lineshapes, and dynamics of condensed phase systems, largely adopt a harmonic description to model vibrations. Often, this involves a model of displaced harmonic oscillators that have…
The Hamiltonian dynamics of a single particle in a rotating plasma column, interacting with an magnetic multipole is perturbatively solved for up to second order, using the method of Lie transformations. First, the exact Hamiltonian is…
The conductance in an extended multiband Hubbard model describing linear arrays of up to ten quantum dots is calculated via a Lanczos technique. A pronounced suppression of certain resonant conductance peaks in an applied magnetic field due…
We establish the formulation for quantum current. Given a symmetry group $G$, let $\mathcal{C}:=\mathrm{Rep} G$ be its representation category. Physically, symmetry charges are objects of $\mathcal{C}$ and symmetric operators are morphisms…
A representation of current is presented which can account for ideal conduction and distinguish superconductors, superfluids, ideal, and non-ideal conductors. The idea of the scheme is that different current operators and transport weights…