Related papers: Atomic Compton profiles within different exchange-…
We employ correlated realistic nucleon-nucleon interactions for the description of nuclear ground states throughout the nuclear chart within the Hartree-Fock approximation. The crucial short-range central and tensor correlations, which are…
Nonrelativistically forbidden, single-photon transition rates between low lying states of the helium atom are rigorously derived within quantum electrodynamics theory. Equivalence of velocity and length gauges, including relativistic…
A model of the collisional kinetics of energetic hydrogen atoms, molecules, and ions in pure H$_2$ discharges is used to predict H$_\alpha$ emission profiles and spatial distributions of emission from the cathode regions of low-pressure,…
At very high energy and wide angles, Compton scattering on the proton (gamma p -> gamma p) is described by perturbative QCD. The perturbative QCD calculation has been performed several times previously, at leading twist and at leading order…
Large-scale relativistic configuration-interaction calculation of energy levels of core-excited states of lithium-like ions is presented. Quantum electrodynamic, nuclear recoil, and frequency-dependent Breit corrections are included in the…
We present an exact solution to the $K^{-}$-proton bound state problem formulated in the momentum space. The 1s level characteristics of the kaonic hydrogen are computed simultaneously with the available low energy $K^{-}p$ data. In the…
We consider a hybrid atom-ion system consisting of a pair of bosons interacting with a single ion in a quasi-one-dimensional trapping geometry. Building upon a model potential for the atom-ion interaction developed in earlier theoretical…
A transport model based on the mean free path approach to describe pp collisions is proposed. We assume that hadrons can be treated as bags of partons similarly to the MIT bag model. When the energy density in the collision is higher than a…
The multi-component density functional theory is faced with the challenge of capturing various types of inter- and intra-particle exchange-correlation effects beyond those introduced by the conventional electronic exchange-correlation…
In this work we describe a model for the exchange interaction of electrons, as it follows from the Pauli exclusion principle. Starting from Hartree-Fock theory and making use of the free electron-gas model we propose a simple scheme to…
Following the first principles the elements of the analytic theory of potential curves for diatomic molecules (diatomics) are presented. It is based on matching the perturbation theory at small internuclear distances $R$ and multipole…
We discuss an approach to accurate numerical computations of slowly convergent properties in two-electron atoms/ions which include the negatively charged Ps$^{-}$ ($e^{-} e^{+} e^{-}$) and H$^{-}$ ions, He atom and positively charged,…
In this work, the exchange energy J for a system of two laterally-coupled quantum dots, each one with an electron, is calculated analytically and in a detailed form, considering them as hydrogen-like atoms, under the Heitler-London…
We report extensive theoretical calculations on the rotation-inversion excitation of interstellar ammonia (NH3) due to collisions with atomic and molecular hydrogen (both para- and ortho-H2). Close-coupling calculations are performed for…
Solid helium (3He and 4He) in the hcp and fcc phases has been studied by path-integral Monte Carlo. Simulations were carried out in the isothermal-isobaric (NPT) ensemble at pressures up to 52 GPa. This allows one to study the temperature…
Many problems in physical chemistry involve systems that are coupled to an environment, such as a molecule interacting with an adjacent surface, possibly resulting in meta-stable molecular states where electron density is transferred to the…
Atomic effective one-electron potentials in a compact analytic form in terms of a few Gaussian charge distributions are developed, for Hydrogen through Nobelium, for starting molecular electronic structure calculations by a simple…
Within the color string percolation model (CSPM), jet transport coefficient, $\hat{q}$, is calculated for various multiplicity classes in proton-proton and centrality classes in nucleus-nucleus collisions at the Large Hadron Collider…
We present an efficient method for estimating the eigenvalues of a Hamiltonian $H$ from the expectation values of the evolution operator for various times. For a given quantum state $\rho$, our method outputs a list of eigenvalue estimates…
"Alchemical" interpolation paths, i.e.~coupling systems along fictitious paths that without realistic correspondence, are frequently used within materials and molecular modeling and simulation protocols for the estimation of relative…