Related papers: Self-consistent calculations for atomic electron c…
A self-consistent formulation is proposed to generalize the HF scheme with the incorporation of screening effects. For this purpose in a first step, an energy functional is defined by the mean value for the full Hamiltonian, not in a Slater…
Electron captures on nuclei play an essential role for the dynamics of several astrophysical objects. The capture rate can be derived in perturbation theory where allowed nuclear transitions (Gamow-Teller transitions) dominate, except at…
Plasma spectroscopy is a fundamental tool for diagnosing laboratory and astrophysical plasmas. Accurate interpretation of spectra depends upon precise modeling and comprehension of Stark broadening and other mechanisms affecting spectral…
We study the relation between quantum entanglement and electron correlation in quantum chemistry calculations. We prove that the Hartree-Fock (HF) wave function does not violate Bell's inequality, thus is not entangled while the…
We have formulated and implemented a fully charge-self-consistent density functional theory plus dynamical mean field theory methodology which enables an efficient calculation of the total energy of realistic correlated electron systems.…
In this work, atomic calculations were performed within the local-density and generalized-gradient approximations of exchange and correlation density functionals within density-functional theory to provide accurate periodic trends of first…
We develop a theory of momentum-resolved electron energy-loss spectra in the scanning transmission microscope (STEM-EELS) that captures the effects of coupled phonon and magnon excitations within a unified formalism, and apply it to…
Traditionally double neutrinoless electronic capture is considered as a resonance process. We have fulfilled shake-off probability calculations, leading to ionization of the electron shell, in the case of $^{164}$Er. Allowance for the…
Cyclotron Radiation Emission Spectroscopy (CRES) is an approach to measuring the energy of an electron trapped in an externally applied magnetic field. The bare electron can come from different interactions, including photoelectric…
The rich information of electron energy-loss spectroscopy (EELS) comes from the complex inelastic scattering process whereby fast electrons transfer energy and momentum to atoms, exciting bound electrons from their ground states to higher…
We present a simple closed expression for determining the condition for Coherent Perfect Absorption derived through electromagnetic wave treatment and interface boundary conditions. Apart from providing physical insight this expression can…
We investigate nuclear-resonant electron scattering as occurring in the two-step process of nuclear excitation by electron capture (NEEC) followed by internal conversion. The nuclear excitation and decay are treated by a phenomenological…
The electron impact ionization of atomic hydrogen is calculated for incident elrctron energy 76.46 eV. The Hartree-Fock approximation is used to calculate the initial state which includes both bound and continum wave functions. The final…
The effective electron neutrino mass can be determined by analyzing the endpoint region of the $^{163}$Ho electron capture spectrum, provided a measurement with high energy resolution and high statistics using calorimetric techniques. Here,…
To explore the applicability of orbital-free density functional theory (OF-DFT) in nuclear physics, we perform a systematic benchmark of 36 one-point kinetic energy density functionals, which are originally developed for electron systems in…
The electron and photon transport processes in spectroscopy techniques described by the invariant embedding theory is here revisited. We report a convergence method to obtain closed analytical solutions to the 3D integro-differential…
We analyze the effects of electron-electron and electron-phonon interactions in the dynamics of a system of two or three electrons that can be trapped to a localized state and detrapped to ab extended band states of a quantum dot using a…
A new modeling way of describing the continuous absorption of electromagnetic (EM) radiation in dense partially ionized hydrogen plasma is tested in this work. It is shown that the obtained results give a possibility of calculating spectral…
We describe an ab initio method for calculating the electronic structure, electronic transport, and forces acting on the atoms, for atomic scale systems connected to semi-infinite electrodes and with an applied voltage bias. Our method is…
The basic properties of atoms, molecules and solids are governed by electron dynamics which take place on extremely short time scales. To measure and control these dynamics therefore requires ultrafast sources of radiation combined with…