Related papers: A quantum reactive scattering perspective on elect…
We investigate the extent to which the nuclear transverse response to electron scattering in the quasielastic region, evaluated in the random-phase approximation can be described by ring approximation calculations. Different effective…
Resonant electron transport through a mesoscopic region (quantum dot or single molecule) with electron-phonon interaction is considered at finite voltage. In this case the standard Landauer-B\"uttiker approach cannot be applied. Using the…
The semiclassical approach, successfully applied in the past to the inelastic, inclusive electron scattering off nuclei, is extended to the treatment of exclusive processes. The final states interaction is accounted for in the mean field…
In this article, we propose a numerical approach to solve quantum mechanical scattering problems, using phase function method, by considering neutron-proton interaction as an example. The nonlinear phase equation, obtained from the…
An electron within a mesoscopic (quantum-coherent) spintronic structure is described by a single wave function which, in the presence of both charge scattering and spin-orbit coupling, encodes an information about {\em entanglement} of its…
In this work, the transition matrix elements for inelastic electron--electron scattering are investigated. The angular part is given by spherical harmonics. For the weighted radial wave function overlap, analytic expressions are derived in…
Electron elastic scattering off a spin-polarized Cr(...$3d^{5}4s^{1}$, $^{7}S$) atom is theoretically studied in the region of electron energies up to $15$ eV using both a one-electron "spin-polarized" Hartree-Fock and multielectron…
Mixed-quantum classical (MQC) methods for simulating the dynamics of molecules at metal surfaces have the potential to accurately and efficiently provide mechanistic insight into reactive processes. Here, we introduce simple two-dimensional…
We derive an accurate molecular orbital based expression for the coherent time evolution of a two-electron wave function in a quantum dot molecule where the electrons interact with each other, with external time dependent electromagnetic…
In this work we investigate 1+2 reactions within the framework of the hyperspherical adiabatic expansion method. To this aim two integral relations, derived from the Kohn variational principle, are used. A detailed derivation of these…
We study the role of non-adiabatic Holstein electron-phonon coupling on the neutral-ionic phase transition of charge transfer crystals which can be tuned from continuous to discontinuous, using exact numerical diagonalization. The variation…
Strongly-correlated two-dimensional electrons in coupled semiconductor bilayers display remarkable broken symmetry many-body states under accessible and controllable experimental conditions. In the cases of continuous quantum phase…
Deep inelastic electron-proton scattering is analyzed in the target rest frame using a theoretical approach suitable to describe many-body systems of {\em bound} constituents subject to {\em interactions}. At large three-momentum transfer…
The relaxation dynamics of correlated electron transport (ET) along molecular chains is studied based on a substantially improved numerically exact path integral Monte Carlo (PIMC) approach. As archetypical model we consider a Hubbard chain…
A kinetic model of the electron transfer at the electrode / electrolyte solution interface is developed, implemented in a Monte Carlo framework, and applied to simulate this process in idealised systems consisting of the primitive model of…
The Complex Kohn variational method for electron-polyatomic molecule scattering is formulated using an overset grid representation of the scattering wave function. The overset grid consists of a central grid and multiple dense,…
Ultrafast x-ray scattering experiments are routinely analyzed in terms of the isotropic scattering component. Here we present an analytical method for calculating total isotropic scattering directly from ab initio two-electron densities of…
The dynamics and processes involved in particle-molecule scattering, including nuclear dynamics, are described and analyzed using various quantum information quantities throughout the different stages of the scattering. The main process…
The electron structure function method is applied to calculate model-independent radiative corrections to an asymmetry of electron-proton scattering. The representations for both spin-independent and spin-dependent parts of the…
We propose a new model suitable for a nonequilibrium molecular dynamics (MD) simulation of electrical conductors. The model consists of classical electrons and atoms. The atoms compose a lattice vibration system. The electrons are scattered…