Related papers: Current-carrying molecules: a real space picture
Constrained Hamiltonian description of the classical limit is utilized in order to derive consistent dynamical equations for hybrid quantum-classical systems. Starting with a compound quantum system in the Hamiltonian formulation conditions…
The model of a classical particle with the weak linear AAD potential is subjected to path integral quantization. The light cone constraints and peculiar properies of its internal variables permit to use in calculations commutative dynamics…
The electronic transport of a noninteracting quantum ring side-coupled to a quantum wire is studied via a single-band tunneling tight-binding Hamiltonian. We found that the system develops an oscillating band with antiresonances and…
Currents across thin insulators are commonly taken as single electrons moving across classically forbidden regions; this independent particle picture is well-known to describe most tunneling phenomena. Examining quantum transport from a…
The quantum theory of conductivity of semiconductor objects, to which the quantum wells, wires and dots concern, is constructed. Average values of current and charge densities, induced by a weak electromagnetic field, are calculated. It is…
We theoretically investigate the effect of inter-molecular Coulomb interactions on transport through molecular monolayers (or other devices based on a large number of nanoscale conductors connected in parallel). Due to the interactions, the…
We consider dynamics of charged solitons in branched conducting polymers. An effective model based on the sine-Gordon equation on metric graphs is used for computing the charge transport and scattering of charge carriers at the polymer…
We introduce a theoretical framework for computing transport coefficients for complex materials. As a first example, we resolve long-standing inconsistencies between experiment and theory pertaining to the conductivity and Hall mobility for…
In many organic molecules the strong coupling of excess charges to vibrational modes leads to the formation of polarons, i.e., a localized state of a charge carrier and a molecular deformation. Incoherent hopping of polarons along the…
The paper shows the equivalence between the geometric frequency of an electric quantity, namely, voltage and current, and the Lagrange derivative of a stream-line of a fluid. The geometric frequency is a concept recently proposed by the…
We analyze the interplay between vibrational and electronic degrees of freedom in charge transport across a molecular single-electron transistor. We focus on the wide class of molecules which possess quasi-degenerate vibrational…
We review various formulations of conductivity for one-particle Hamiltonians and relate them to the current-current correlation measure. We prove that the current-current correlation measure for random Schr\"odinger operators has a density…
A Molecular Dynamics (MD) parallel to the Control Volume (CV) formulation of fluid mechanics is developed by integrating the formulas of Irving and Kirkwood, J. Chem. Phys. 18, 817 (1950) over a finite cubic volume of molecular dimensions.…
Time-dependent currents in molecular junctions can be caused by structural fluctuations or interaction with external fields. In this publication, we demonstrate how the hierarchical quantum master equation approach can be used to study…
The Hamiltonian dynamics of chains of nonlinearly coupled particles is numerically investigated in two and three dimensions. Simple, off-lattice homopolymer models are used to represent the interparticle potentials. Time averages of…
In this work, we have investigated conduction through an artificial molecule comprising two coupled quantum dots. The question addressed is the role of inter-dot coupling on electronic transport. We find that the current through the…
We study a concentration and homogenization problem modelling electrical conduction in a composite material. The novelty of the problem is due to the specific scaling of the physical quantities characterizing the dielectric component of the…
We derive a collisionless kinetic theory for an ensemble of molecules undergoing nonholonomic rolling dynamics. We demonstrate that the existence of nonholonomic constraints leads to problems in generalizing the standard methods of…
A general Hamiltonian theory for the adiabatic motion of relativistic charged particles confined by slowly-varying background electromagnetic fields is presented based on a unified Lie-transform perturbation analysis in extended phase space…
The elementary processes taking place in the formation of charged particles and their flow in the ionization chamber are considered. On the basic of particles and charges balance a differential equation describing the distribution of…