Related papers: Calculation of the positron bound state with the c…
We present a novel theory and implementation for computing coupled electronic and quantal nuclear subsystems on a single potential energy surface, moving beyond the standard Born-Oppenheimer (BO) separation of nuclei and electrons. We…
We report a computational first-principles study of positron trapping at vacancy defects in metals and semiconductors. The main emphasis is on the energetics of the trapping process including the interplay between the positron state and the…
The usefulness of the Relativistic Schr\"odinger Theory (RST) is studied in the field of atomic physics. As a concrete demonstration, the positronium groundstate is considered in great detail; especially the groundstate energy $E_0$ is…
We have investigated the threshold of photodetachment of Li^- leading to the formation of the residual Li atom in the $2p ^2P$ state. The excited residual atom was selectively photoionized via an intermediate Rydberg state and the resulting…
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…
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…
The multiconfiguration Dirac-Hartree-Fock method is applied to study the electron affinities of At and its homologous elements Cl, Br, and I. Our method of calculation is validated through the comparison with the available experimental…
We substantiate the need for account of the proper electromagnetic field of the electron in the canonical problem of hydrogen in relativistic quantum mechanics. From mathematical viewpoint, the goal is equivalent to determination of the…
We report the first measurements of the transverse ($P_{x}$ and $P_{y}$) and longitudinal ($P_{z}$) components of the polarization transfer to a bound proton in the deuteron via the $^{2}\mathrm{H}(\vec{e},e'\vec{p})$ reaction, over a wide…
Orientation effects on the resistivity of copper grain boundaries are studied systematically with two different atomistic tight binding methods. A methodology is developed to model the resistivity of grain boundaries using the Embedded Atom…
A low-energy storage ring with an ultracold electron cooler has been coupled with a heavy-ion accelerator facilitating high-resolution electron-ion collision spectroscopy of the heaviest few-electron ions. In the present work resonant…
New constraints for the nuclear equation of state at suprasaturation densities have been obtained by measuring collective particle flows in heavy-ion reactions at relativistic energies. Ratios and differences of neutron and hydrogen flows…
Energies of (3s2 3p6 3d9 4l4l'), (3s2 3p5 3d10 4l4l'), and (3s 3p6 3d10 4l4l') states for Cu-like ions with Z = 30 -100 are evaluated to second order in relativistic many-body perturbation theory (RMBPT) starting from a Ni-like Dirac-Fock…
We propose the cyclotron state retrieval of an electron trapped in a Penning trap by using different measurement schemes based on suitable modifications of the applied electromagnetic fields and exploiting the axial degree of freedom as a…
This article presents an overview of current understanding of the interaction of low-energy positrons with molecules with emphasis on resonances, positron attachment and annihilation. Annihilation rates measured as a function of positron…
The osmotic coefficient of solutions of rod-like polyelectrolytes is considered by comparing current theoretical treatments and simulations to recent experimental data. The discussion is restricted to the case of monovalent counterions and…
We report results of the calculation of the low-lying levels of neutral Si using a combination of the configuration interaction and many-body perturbation theory (CI+MBPT method). We treat Si I as an atom with four valence electrons and use…
A survey of atomic binding energies used by general purpose Monte Carlo systems is reported. Various compilations of these parameters have been evaluated; their accuracy is estimated with respect to experimental data. Their effects on…
We compute corrections to the gyromagnetic factor of an electron bound in a hydrogen-like ion at order alpha^2(Z alpha)^5. This result removes a major uncertainty in predictions for silicon and carbon ions, used to determine the atomic mass…
We demonstrate that energy levels of excited states in a hydrogenic system consisting of an arbitrary nucleus and an antiproton can be calculated within the framework of nonrelativistic quantum electrodynamics, even for a large nuclear…