相关论文: Electron Wavefunctions and Densities for Atoms
The Fraunhofer diffraction of quantum particles from materials with sharp electron-density edges or symmetric bond structures is ubiquitous. In contrast, diffraction from atoms with characteristic asymptotically-diffused electron…
Density functional theory is used to describe electrolyte solutions in contact with electrodes of planar or spherical shape. For the electrolyte solutions we consider the so-called civilized model, in which all species present are treated…
Recent advances in electron microscopy allowed the generation of high-energy electron wave packets of ultrashort duration. Here we present a non-perturbative S-matrix theory for scattering of ultrashort electron wave packets by atomic…
Laser photons carrying non-zero orbital angular momentum are known and exploited during the last twenty years. Recently it has been demonstrated experimentally that such (twisted) electrons can be produced and even focused to a subnanometer…
The density of states for a finite or an infinite cluster of scatterers in the case of both electrons and photons can be represented in a general form as the sum over all Krein-Friedel contributions of individual scatterers and a…
Closed analytical formulas are derived for the differential and total cross sections of the non-relativistic photoelectric effect in the three main classes of few-electron atomic systems: (1) neutral atoms and positively charged atomic ions…
We suggest to include the density of electron charge explicitly in the electron potential of density functional theory, rather than implicitly via exchange-correlation functionals. The advantages of the approach are conceptual and…
As a substitute for the current hypothesis of space-time continuity, we show the nature and the characteristics of a Schild's discrete space-time. With the wave perturbations of its metrical structure we formulate the working hypothesis…
The description of the electron wavefunctions in atoms is generalized to the fractional Fourier series. This method introduces a continuous and infinite number of chirp basis sets with linear variation of the frequency to expand the…
We consider scattering atoms from a fully Bose-Einstein condensed gas. If we take these atoms to be identical to those in the Bose-Einstein condensate, this scattering process is to a large extent analogous to Andreev reflection from the…
Let f_n denote a kernel density estimator of a continuous density f in d dimensions, bounded and positive. Let \Psi(t) be a positive continuous function such that \|\Psi f^{\beta}\|_{\infty}<\infty for some 0<\beta<1/2. Under natural…
A construction of node-less atomic orbitals and energy-dependent, node-reduced partial waves is presented, that contains the full information of the atomic eigenstates and that allows to represent the scattering properties in a transparent…
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…
The scattering cross section of electrons in noble gas atoms exhibits a minimum value at electron energies of approximately 1eV. This is the Ramsauer-Townsend effect. In this letter, we study the Ramsauer-Townsend effect in the framework of…
The scattering of electrons off nuclei is one of the best methods of probing nuclear structure. In this paper we focus on electron scattering off nuclei with spin and isospin zero within the Skyrme model. We consider two distinct methods…
Within the Poisson-Boltzmann (PB) approach electrolytes in contact with planar, spherical, and cylindrical electrodes are analyzed systematically. The dependences of their capacitance $C$ on the surface charge density $\sigma$ and the ionic…
We present the first wavelet-based all-electron density-functional calculations to include gradient corrections and the first in a solid. Direct comparison shows this approach to be unique in providing systematic ``transparent''…
We present a detailed theoretical study on the thermodynamic properties of impure quasi-one dimensional unconventional charge-, and spin-density waves in the framework of mean-field theory. The impurities are of the ordinary non-magnetic…
We suggest scattering experiments which implement the concept of ``protective measurements'' allowing the measurement of the complete wave function even when only one quantum system (rather than an ensemble) is available. Such scattering…
An accurate and efficient numerical simulation approach to electromagnetic wave scattering from two-dimensional, randomly rough, penetrable surfaces is presented. The use of the M\"uller equations and an impedance boundary condition for a…