Related papers: Time-dependent Density Functional calculation of e…
We investigate $K^{+}$-nucleus elastic scattering at intermediate energies within a microscopic optical model approach. To this effect we use the current $K^{+}$-nucleon {\it (KN)} phase shifts from the Center for Nuclear Studies of the…
Omnes dispersion relations make a connection between form factors for exclusive semileptonic decays and phase shifts in the corresponding elastic scattering channels. We describe two applications. In the first, we use lattice form factor…
We have studied the angular time delay in slow-electron elastic scattering by spherical targets as well as the average time delay of electrons in this process. It is demonstrated how the angular time delay is connected to the…
We develop a method to parameterize elastic-scattering phase-shifts for charged nuclei, based on Pad\'e expansions of a simplified effective-range function. The method is potential independent and the input is reduced to experimental phase…
We explore model electron dynamics of an atom scattering off a surface within the time-dependent complete active space self consistent field (TD-CASSCF) approximation. We focus especially on the scattering of a hydrogen atom and its…
We simulate the dynamics of a single-electron source, modeled as a quantum dot with on-site Coulomb interaction and tunnel coupling to an adjacent lead, in time-dependent density functional theory. Based on this system, we develop a…
The Lorenz--Mie formulation of electromagnetic scattering by a homogeneous, isotropic, dielectric-magnetic sphere was extended to incorporate topologically insulating surface states characterized by a surface admittance $\gamma$.…
The derivative discontinuity of the exchange-correlation functional of density-functional theory is cast as the difference of two types of electron affinities. We show that standard Kohn-Sham calculations can be used to calculate both…
Density-functional theory simplifies many-electron calculations by approximating the exchange and correlation interactions with a one-electron operator that is a functional of the density. Hybrid functionals incorporate some amount of exact…
Quantum theory is proposed of high energy electrons scattering in ultrathin crystals. This theory is based upon a special representation of the scattering amplitude in the form of the integral over the surface surrounding the crystal, and…
Inspired by the formulation of quantum-electrodynamical time-dependent density functional theory (QED-TDDFT) by Rubio and coworkers, we propose an implementation that uses dimensionless amplitudes for describing the photonic contributions…
Density Functional Theory (DFT) is one of the most widely used methods for "ab initio" calculations of the structure of atoms, molecules, crystals, surfaces, and their interactions. Unfortunately, the customary introduction to DFT is often…
Effect of charge-transfer recombination for positronium (Ps) scattering is studied on Ps-H system using coupled-channel formalism considering a new rearrangement channel Ps+H --> e^+ + H^- and exchange. The correlation and continuum effects…
Non-adiabaticity in adsorption on metal surfaces gives rise to a number of measurable effects, such as chemicurrents and exo-electron emission. Here we present a quantitative theory of chemicurrents on the basis of ground-state…
We show that the energetics and lifetimes of resonances of finite systems under an external electric field can be captured by Kohn--Sham density functional theory (DFT) within the formalism of uniform complex scaling. Properties of…
Complex transition density can be constructed by a nuclear structure model with a complex basis and/or complex coefficient. In general, the complex transition density is converted to the real one with phase factor. In this study, we apply…
Time-dependent density functional theory, proposed recently in the context of atomic diffusion and non-equilibrium processes in solids, is tested against Monte Carlo simulation. In order to assess the basic approximation of that theory, the…
We generalize to the time-dependent case the stationary Internal DFT / Kohn-Sham formalism presented in Ref. [14]. We prove that, in the time-dependent case, the internal properties of a self-bound system (as an atomic nuclei) are all…
Basic issues of the time-dependent density-functional theory are discussed, especially on the real-time calculation of the linear response functions. Some remarks on the derivation of the time-dependent Kohn-Sham equations and on the…
We study elastic N$\alpha $ scattering and produce a quantitative correlation between the range of the effective potential and the energy of the system. This allows the identification of the waves and energies for which the scattering may…