Related papers: Collective Electron Dynamics in Metallic and Semic…
Basic problems of the semiclassical microscopic modelling of strongly interactingsystems are discussed within the framework of Quantum Molecular Dynamics (QMD). This model allows to study the influence of several types of nucleonic…
We propose an approach that links density functional theory (DFT) and molecular dynamics (MD) simulation to study fluid behavior in nanopores in contact with bulk (macropores). It consists of two principal steps. First, the theoretical…
Soft nanosystems are electronic nanodevices, such as suspended carbon nanotubes or molecular junctions, whose transport properties are modulated by soft internal degrees of freedom, for example slow vibrational modes. In this review,…
We first write down a very general description of nonlinear classical electrodynamics, making use of generalized constitutive equations and constitutive tensors. Our approach includes non-Lagrangian as well as Lagrangian theories, allows…
Interactions of charge carriers with lattice vibrations, or phonons, play a critical role in unconventional electronic transport of metals and semimetals. Recent observations of phonon-mediated collective electron flow in bulk semimetals,…
A method for the evaluation of the angular width of an electron beam generated by a nanoconstriction is proposed and demonstrated. The approach is based on analysis of a narrow-width electron flow, that quantizes into modes inside a…
Electron transfer coupled to a collective vibronic degree of freedom is studied in strongly condensed phase and at lower temperatures where quantum fluctuations are essential. Based on an exact representation of the reduced density matrix…
Focus of the chapter is on the theoretical approaches aimed to analyze thermoelectric properties at the nanoscale. We discuss several relevant theoretical approaches for different set-ups of nano-devices providing estimations of the…
Strong-field quantum electronics is emerging as a potential candidate in information processing but still coherence vs decoherence is a primary concern of the concept. Strong-field coherent processes in band gap materials have led during…
The discrete and charge-separated nature of matter - electrons and nuclei - results in local electrostatic fields that are ubiquitous in nanoscale structures and are determined by their shape, material, and environment. Such fields are…
The collective dynamics of nonlinear electron waves in an one-dimensional degenerate electron gas is treated using the Lagrangian fluid approach. A new class of solutions with a nontrivial space and time dependence is derived. Both…
Suprathermal electrons and inertial drifting electrons, so called electron beam, are crucial to the nonlinear dynamics of electrostatic solitary waves observed in several astrophysical plasmas. In this paper, the propagation of…
Electron density and electron momentum density, while independently tractable experimentally, bear no direct connection without going through the many-electron wave function. However, invoking a variant of the constrained-search formulation…
Exposing a molecule to intense light pulses may bring this molecule to a nonstationary quantum state, thus launching correlated dynamics of electronic and nuclear subsystems. Although much had been achieved in the understanding of…
The limits of linear electrodynamics are reviewed, and possible directions of nonlinear extension are explored. The central theme is that the qualitative character of the empirical successes of quantum electrodynamics must be used as a…
Electrokinetic flows of an aqueous NaCl solution in nanochannels with negatively charged surfaces are studied using molecular dynamics (MD) simulations. The four transport coefficients that characterise the response to weak electric and…
Field emission coupled with molecular dynamics simulation (FEcMD) software package is a computational tool for studying atomic structure evolution, structural deformation, phase transitions, recrystallization as well as electron emission…
Electron and proton acceleration in three-dimensional electric and magnetic fields is studied through test particle simulations. The fields are obtained by a three-dimensional magnetohydrodynamic simulation of magnetic reconnection in slab…
We develop a formalism for modelling exact time dynamics in waveguide quantum electrodynamics (QED) using the real-space approach. The formalism does not assume any specific configuration of emitters and allows the study of Markovian…
The time-dependent Schrodinger equation of a many particle spin system consisting of an electron in a quantum dot interacting with the spins of the nuclei (N) in the dot due to hyperfine interaction is solved exactly for a given arbitrary…