Related papers: Methods, algorithms and computer codes for calcula…
Core-polarization interactions are investigated in low-energy electron elastic scattering from the atoms In,Sn,Eu,Au and At through the calculation of their electron affinities. The complex angular momentum method wherein is embedded the…
High precision atomic data is indispensable for experiments involving studies of fundamental interactions, astrophysics, atomic clocks, plasma science, and others. We develop new parallel atomic structure codes and explore the difficulties…
The simulation of ion-atom collisions remains a formidable challenge due to the complex interplay between electronic and nuclear degrees of freedom. We present a hybrid quantum-classical computing framework for simulating time-dependent…
We develop a method of stochastic differential equation to simulate electron acceleration at astrophysical shocks. Our method is based on It\^{o}'s stochastic differential equations coupled with a particle splitting, employing a skew…
X-ray photoelectron spectra provide a wealth of information on the electronic structure. The extraction of molecular details requires adequate theoretical methods, which in case of transition metal complexes has to account for effects due…
We analytically compute, in the first Born approximation for symmetric and asymmetric coplanar geometries, the triple differential cross sections for electron-impact ionization of hydrogen atom in the metastable 2S-state at both low and…
We study the evolution of the \eep cross section on nuclei with increasing asymmetry between the number of neutrons and protons. The calculations are done within the framework of the nonrelativistic and relativistic distorted-wave impulse…
As an extension to our previous work [1], a comprehensive theoretical study for Na-like Krypton and Xenon is carried out. Using MCDHF (Multiconfiguration Dirac-Hartee-Fock) along with RDW (Relativistic distorted wave) theory we calculate…
Methods for estimating the correlation energy of molecules and other electronic systems are discussed based on the assumption that the correlation energy can be partitioned between atomic regions. In one method, the electron density is…
A theoretical investigation of the radiative capture of an electron into a bound state of heavy, hydrogen-like ion is presented. Special attention is paid to the question of how the linear polarization of the emitted radiation is affected…
Electron microscopy is a powerful tool for studying the properties of materials down to their atomic structure. In many cases, the quantitative interpretation of images requires simulations based on atomistic structure models. These…
Electromagnetic interactions of protons and alpha particles are modeled in a form that is suitable for Monte Carlo simulation of the transport of charged particles. The differential cross section (DCS) for elastic collisions with neutral…
We calculate the cross-section of ionization by free-electron impacts in high or moderate density plasmas. We show that the so-called ionization potential depression (IPD) strongly affects the magnitude of the cross-section in the…
The accurate description of nuclear quantum effects, such as zero-point energy, is important for modeling a wide range of chemical and biological processes. Within the nuclear-electronic orbital (NEO) approach, such effects are incorporated…
Electromagnetic waves undergo modifications as they propagate through plasma. We present EMPI (ElectroMagnetic-wave Plasma Interaction), a three-dimensional numerical framework designed to simulate the interaction between radio signals and…
The collisional electron-impact line widths of the 3s-3p transitions in Li-like ions from B III to Ne VIII are calculated with the convergent close-coupling (CCC) method from the atomic collision theory. The elastic and inelastic…
We present first-principles calculations of the rate of energy exchanges between electrons and ions in nonequilibrium warm dense plasmas, liquid metals and hot solids, a fundamental property for which various models offer diverging…
The electron structure function method is applied to calculate model-independent radiative corrections to an asymmetry of electron-proton scattering. The representations for both spin-independent and spin-dependent parts of the…
Understanding nuclear effects is essential for improving the sensitivity of neutrino oscillation measurements. Validating nuclear models solely through neutrino scattering data is challenging due to limited statistics and the broad energy…
A theoretical analysis using an impact-parameter description of the collisions of deuterons with nuclei is carried out in the high-energy diffraction approximation. It is used to obtain the intensities and integrated cross sections for…