Related papers: Wavefunctions of Auger Electrons Emitted from Copp…
The shape of the longitudinal development of the showers generated in the atmosphere by very high energy cosmic ray particles encodes information about the mass composition of the flux, and about the properties of hadronic interactions that…
Relations between particle and wave properties for charge carriers in periodic potentials of crystalline metals and semiconductors are derived. The particle aspects of electrons and holes in periodic potentials are considered using…
A simple approximation within the framework of the hybrid methods for the calculation of the electronic structure of solids is presented. By considering only the diagonal elements of the perturbation operator (Hartree-Fock exchange minus…
(Screened) hybrid functionals are being used more and more for solid-state calculations. Usually the fraction alpha of Hartree-Fock exchange is kept fixed during the calculation, however there is no single (universal) value for alpha which…
We present quantum mechanical calculations of Auger decay rates for two Rubidium Rydberg atoms with weakly overlapping electron clouds. We neglect exchange effects and consider tensor products of independent atom states forming an…
The ion-bombardment induced evolution of intermixing is studied by molecular dynamics simulations and by Auger electron spectroscopy depth profiling analysis (AESD) in Cu/Co multilayer. It has been shown that from AESD we can derive the…
In antecedent experiments the electron screening energies of the d+d reactions in metallic environments have been determined to be enhanced by an order of magnitude in comparison to the case of gaseous deuterium targets. The analytical…
The basic theory of photoemission, inverse photoemission, Auger-electron and appearance-potential spectroscopy is developed within a unified framework starting from Fermi's golden rule. The spin-resolved and temperature-dependent…
Efficiently and accurately computing molecular Auger electron spectra for larger systems is limited by the increasing complexity of the scaling in the number of doubly ionized final states with respect to the system size. In this work, we…
We report extensive calculations of the decay properties of fine-structure K-vacancy levels in Fe X-Fe XVII. A large set of level energies, wavelengths, radiative and Auger rates, and fluorescence yields has been computed using three…
Attosecond chronoscopy typically utilises interfering two-photon transitions to access the phase information. Simulating these two-photon transitions is challenging due to the continuum-continuum transition term. The hydrogenic…
Images of electron flow through a two-dimensional electron gas from a quantum point contact (QPC) can be obtained at liquid He temperatures using scanning probe microscopy (SPM). A negatively charged SPM tip depletes the electron gas…
We present a comprehensive analysis of all currently available high-accuracy frequency measurements of rotational and rovibrational transitions in the hydrogen molecular ion HD$^+$. Our analysis utilises the theoretically calculated…
We present a comprehensive investigation of electron capture (EC) ratios spanning a broad range of atomic numbers. The study employs a self-consistent computational method that incorporates electron screening, electron correlations, overlap…
The attosecond ultrafast ionization dynamics of correlated two- or many-electron systems have, so far, been mainly addressed investigating atomic systems. In the case of single ionization, it is well known that electron-electron correlation…
Atomic-scale phase-field modeling formulates the probability densities of atomic vibrations as Gaussian distributions and derives a free energy functional using variational Gaussian theory and interatomic potentials. This framework permits…
The formalism of electronic density-functional-theory, with Hubbard-U corrections (DFT+U), is employed in a computational study of the energetics of U_{1-x} Ce_x O_2 mixtures. The computational approach makes use of a procedure which…
For a given many-electron molecule, it is possible to define a corresponding one-electron Schr\"odinger equation, using potentials derived from simple atomic densities, whose solution predicts fairly accurate molecular orbitals for single-…
The deuteron wave function can be presented as the table through the respective massifs of numerically values of radial wave functions. In calculations such arrays of numbers in the texts of programs to operate quite difficult. Therefore a…
Quasi-forbidden electronic transitions in atoms and quasi-degenerate vibronic transitions in molecules serve as powerful probes of hypothetical temporal variations of fundamental constants. Computation of the sensitivity of a transition to…