Related papers: Electronic Polarization Effects in Core-Level Spec…
It has been long recognized that the spatial polarization of the electronic clouds in molecules, and the spatial arrangements of atoms into chiral molecular structures, play crucial roles in physics, chemistry and biology. However, these…
X-ray and MeV polarization can be powerful diagnostics for leptonic and hadronic blazar models. Previous predictions are mostly based on a one-zone framework. However, recent IXPE observations of Mrk~421 and 501 strongly favor a multi-zone…
We have demonstrated that the polarization of the fullerene shell considerably alters the polarization potential of an atom, stuffed inside a fullerene. This essentially affects the electron elastic scattering phases as well as…
We present a theoretical study of electrorotation (ER) of two spherical particles under the action of a rotating electric field. When the two particles approach and finally touch, the mutual polarization interaction between the particles…
We present an ab initio study of core excitations of solid-state materials focussing on the role of electron-hole correlation. In the framework of an all-electron implementation of many-body perturbation theory into the exciting code, we…
We present a new theoretical approach to describe X-Ray absorption and Magnetic Circular Dichroism spectra in the presence of e-e correlation. Our approach provides an unified picture to include correlations in both charged and neutral…
We present the implementation of an electronic-structure approach dedicated to ionization dynamics of molecules interacting with x-ray free-electron laser (XFEL) pulses. In our scheme, molecular orbitals for molecular core-hole states are…
We theoretically study the influence of laser polarization in inelastic scattering of electrons by hydrogen atoms in the presence of a circularly polarized laser field in the domain of field strengths below $10^{7}$ V/cm and high projectile…
Electron screening changes appreciably the magnitude of astrophysical nuclear reactions within stars. This effect is also observed in laboratory experiments on Earth, where atomic electrons are present in the nuclear targets. Theoretical…
The effect of intense X-ray laser interaction on argon clusters is studied theoretically with a mixed quantum/classical approach. In comparison to a single atom we find that ionization of the cluster is suppressed, which is in striking…
In order to shed light on the electronic structure of Na_xCoO_2, and motivated by recent Co L-edge X-ray absorption spectra (XAS) experiments with polarized light, we calculate the electronic spectrum of a CoO_6 cluster including all…
In this paper we analyze the polarization of the X-ray radiation coming from laser--electron X-ray generator (LEXG). We obtain general relations connecting the polarization state of outgoing X-ray radiation to the polarization state of…
Electronic correlation is a complex many-body effect and the correlation energy depends on the specific electronic structure and spatial distribution of electrons in each atom and molecule. Although the total correlation energy in an atom…
The first-principles simulation of the electronic structure of organic semiconductors in solution poses a number of challenges that are not trivial to address simultaneously. In this work, we investigate the effects and the mutual interplay…
The induced surface charges appear to diverge when dielectric particles form close contacts. Resolving this singularity numerically is prohibitively expensive because high spatial resolution is needed. We show that the strength of this…
The 2D system of electron confined to the lowest Landau level is described using a representation of the density matrix depending both on electron and hole coordinates. Condensation of the electron system into a fractional quantum Hall…
We theoretically investigate the Stark shift of the exciton goundstate in two vertically coupled quantum dots as a function of the interdot distance. The coupling is shown to enhance the tuneability of the linear optical properties,…
Electronic polarization is evaluated in pentacene crystals and in thin films on a metallic substrate using a self-consistent method for computing charge redistribution in non-overlapping molecules. The optical dielectric constant and its…
Polarization behaviour shows a transition in the pulsar population, where energetic sources with higher spin-down energy loss, $\dot{E} > 10^{34}$ erg~s$^{-1}$, often have fractional linear polarisation ($L/I$) close to 100\%, while below…
A model for positron binding to polar molecules is considered by combining the dipole potential outside the molecule with a strongly repulsive core of a given radius. Using existing experimental data on binding energies leads to…