Related papers: Microscopic Composition of Ion-Ion Interaction Pot…
We formulate a Hartree-Fock-LAPW method for electronic band structure calculations. The method is based on the Hartree-Fock-Roothaan approach for solids with extended electron states and closed core shells where the basis functions of…
We study the effect of the so-called ion potential or non-kinetic energies of bombarding ions during ionized physical vapor deposition of Cu using molecular dynamics simulations. In particular we focus on low energy HiPIMS deposition, in…
A new relativistic method based on the Dirac equation for calculating fully differential cross sections for ionization in ion-atom collisions is developed. The method is applied to ionization of the atomic hydrogen by antiproton impact, as…
This chapter presents an overview of the optical model description of nucleon-nucleus scattering and reactions based on fundamental nuclear two-body and many-body forces. The chapter begins with a historical review followed by a discussion…
The structure of finite nuclei is investigated by employing an interaction model which is based on the low-momentum interaction $V_{lowk}$. It is supplemented by a density-dependent contact interaction fitted to reproduce the saturation…
A recapitulatory analysis of total nuclear cross sections of various nuclei is presented, which yields detailed knowledge on the different physical processes such as potential/resonance scatter and nuclear reactions. The physical base for…
We study numerically collisions between protons and $H_2^+$ molecular ions at intermediate impact energies by using the Classical Trajectory Monte Carlo method (CTMC). Total and differential cross sections are computed. The results are…
A simple superasymmetric fission model using microscopically calculated nuclear potentials has shown itself to be outstandingly successful in describing highly asymmetric spontaneous disintegration of nuclei into two composite nuclear…
Total reaction cross sections are predicted for proton scattering from various nuclei. A simple functional form has been used that reproduces the total reaction cross sections for the scattering of protons from (15) nuclei spanning the mass…
Density functional theory offers a very accurate way of computing materials properties from first principles. However, it is too expensive for modelling large-scale molecular systems whose properties are, in contrast, computed using…
Based on an analysis of the short range chemical environment of each atom in a system, standard machine learning based approaches to the construction of interatomic potentials aim at determining directly the central quantity which is the…
We study heavy-ion fusion reactions at energies near the Coulomb barrier, in particular with neutron-rich radioactive ion beams. Dynamic microscopic calculations are carried out on a three-dimensional lattice using the Density-Constrained…
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…
We introduce a direct Boltzmann inversion method to infer the interaction potential in particle systems using as input particle configurations generated at an arbitrary state point of the system. Unlike iterative Boltzmann inversion, the…
We present a procedure for the determination of the interaction potential from the knowledge of the radial pair distribution function. The method, realized inside an inverse Monte Carlo simulation scheme, is based on the application of the…
Using a helium ion hitting various metal surfaces as a model system, we describe a general quantum-kinetic approach for calculating ion-induced secondary electron emission spectra at impact energies where the emission is driven by the…
The HNC Ornstein-Zernike integral equations are used to determine the properties of simple models of colloidal solutions where the colloids and ions are immersed in a solvent considered as a dielectric continuum and have a size ratio equal…
Properties of spin polarized isospin asymmetric nuclear matter are studied within the framework of the Brueckner--Hartree--Fock formalism. The single-particle potentials of neutrons and protons with spin up and down are determined for…
We calculate nucleon-nucleon cross sections in the nuclear medium with unequal densities of protons and neutrons. We use the Dirac-Brueckner-Hartree-Fock approach together with realistic nucleon-nucleon potentials. We examine the effect of…
Intramolecular ion-pair interactions yield shape and functionality to many molecules. With proper orientation, these interactions overcome steric factors and are responsible for the compact structures of several peptides. In this study, we…