Related papers: Microscopic Composition of Ion-Ion Interaction Pot…
We present a method for calculating ab initio interatomic forces which scales quadratically with the size of the system and provides a physically transparent representation of the force in terms of the spatial variation of the electronic…
We introduce a new framework for the low-energy nuclear structure calculations, which describes the single-particle wave function as a superposition of localized Gaussians. It is a hybrid of the Hartree-Fock and antisymmetrized molecular…
We discuss theoretically ion-atom collisions at low energy and predict the possibility of formation of cold molecular ion by photoassociation. We present results on radiative homo- and hetero-nuclear atom-ion cold collisions that reveal…
We provide a methodology for generating interatomic potentials for use in classical molecular dynamics simulations of atomistic phenomena occurring at energy scales ranging from lattice vibrations to crystal defects to high energy…
The nuclear symmetry energy $E_{sym}(\rho)$ and its density slope $L(\rho)$ can be decomposed analytically in terms of the single-nucleon potential in isospin asymmetric nuclear matter. Using three popular nuclear effective interaction…
Collisions of actinide nuclei form, during very short times of few $10^{-21}$ s, the heaviest ensembles of interacting nucleons available on Earth. Such very heavy ions collisions have been proposed as an alternative way to produce heavy…
The energy- and density-dependent single-particle potential for nucleons is constructed in a medium of infinite isospin-symmetric nuclear matter starting from realistic nuclear interactions derived within the framework of chiral effective…
Background: The time-dependent Hartree-Fock (TDHF) theory has been successful in describing low-energy heavy ion collisions. Recently, we have shown that multinucleon transfer processes can be reasonably described in the TDHF theory…
We discuss the one-body potentials for protons and neutrons obtained from Dirac-Brueckner-Hartree-Fock calculations of neutron-rich matter, in particular their dependence upon the degree of proton/neutron asymmetry. The closely related…
Evaluation of internal energy and the inter-atomic or ionic interactions in a crystal lattice usually requires precise calculation of lattice sums. This in the case of small nano-particles (as space-limited domains) presents several…
Using one-range addition theorems for noninteger n Slater type orbitals and Coulomb-Yukawa like correlated interaction potentials with noninteger indices obtained by the author with the help of complete orthonormal sets of exponential type…
We present a novel scheme for nuclear structure calculations based on realistic nucleon-nucleon potentials. The essential ingredient is the explicit treatment of the dominant interaction-induced correlations by means of the Unitary…
The pair- and three-proton interaction potentials for metal-phase hydrogen are calculated. Irreducible three-proton interactions are shown to be essential in the development of the metal hydrogen structure. Possible manifestations of the…
A highly effective approach to the search for hypothetical new interactions through isotope shift spectroscopy of hydrogen-like ions is presented. A weighted difference of the g factor and ground-state energy is shown to assist in the…
The single-centre convergent close-coupling approach to ion-atom collisions has been extended to model collisions involving arbitrary multi-electron atoms and partially stripped ions. This is accomplished by generating a set of target…
We discuss various ways to handle self-interaction corrections (SIC) to Density Functional Theory (DFT) calculations. To that end, we use a simple model of few particles in a finite number of states together with a simple zero-range…
The coefficients of interatomic potential of simple form Exp-6 for neon are obtained. Repulsive part is calculated ab-initio in the Hartree-Fock approximation using the basis of atomic orbitals orthogonalized exactly on different lattice…
We propose a simple scheme to construct composition-dependent interatomic potentials for multicomponent systems that when superposed onto the potentials for the pure elements can reproduce not only the heat of mixing of the solid solution…
Accurate interaction potentials between microscopic components such as colloidal particles or cells are crucial to understanding a range of processes, including colloidal crystallization, bacterial colony formation, and cancer metastasis.…
The semi-microscopic potential between heavy nuclei is evaluated for various colliding ions in the approach of frozen densities in the framework of the extended Thomas-Fermi approximation with hbar^2 correction terms in the kinetic energy…