Related papers: Calculation of the positron bound state with the c…
We propose a modification of the embedded-atom method-type potential aiming at reconciling simulated melting and ground-state properties of metals by means of classical molecular dynamics. Considering titanium, magnesium, gold, and platinum…
Mercury (Hg) and superheavy element copernicium (Cn) are investigated using equation-of-motion relativistic coupled-cluster (EOM-RCC) and configuration interaction plus many-body perturbation theory (CI+MBPT) methods. Key atomic properties…
We present first-principles approaches based on density functional theory for calculating positron states and annihilation characteristics in condensed matter. The treatment of the electron-positron correlation effects (the enhancement of…
We calculate the bound-electron $g$ factor for a wide range of rovibrational states of the molecular hydrogen ions H$_2^+$ and HD$^+$. Relativistic and QED corrections of orders up to $\alpha^5$ are taken into account. All contributions are…
We investigate the ground state energy of an electron coupled to a photon field. First, we regard the self-energy of a free electron, which we describe by the Pauli-Fierz Hamiltonian. We show that, in the case of small values of the…
We calculate the binding energy, charge radii in $^{126}$Ba--$^{140}$Ba and $^{214}$Ra--$^{228}$Ra using the relativistic mean field theory which includes scalar and vector mesons. We then evaluate the nuclear structure corrections to the…
We determine effective collisional radii of positronium (Ps) by considering Ps states in hard-wall spherical cavities. $B$-spline basis sets of electron and positron states inside the cavity are used to construct the states of Ps. Accurate…
Cobalt-55 is not only present in abundance in presupernova phase but is also advocated to play a decisive role in the core collapse of massive stars. The spectroscopy of electron capture and emitted neutrinos yields useful information on…
The donor binding energies associated with the ground state and a few excited states, are computed as a function of the dot size and the impurity position within two and three dimensional GaAs quantum dots. The calculation has been done…
We introduce "bond-counting" potentials, which provide an elementary description of covalent bonding. These simplistic potentials are intended for studies of the mechanisms behind a variety of phase transitions in elemental melts, including…
We investigated transition strengths from ultracold weakly bound 41K87Rb molecules produced via the photoassociation of laser-cooled atoms. An accurate potential energy curve of the excited state (3)1Sigma+ was constructed by carrying out…
The differences between the experimental and the theoretically calculated binding energies in Relativistic Mean Field (RMF) approach have been calculated for a large number of odd-$Z$ nuclei from $A=47$ to 229. Neutron-proton (n-p)…
We present a study of hydrogen at pressures higher than molecular dissociation using the Coupled Electron-Ion Monte Carlo method. These calculations use the accurate Reptation Quantum Monte Carlo method to estimate the electronic energy and…
Atomic properties of $n=3$ states of the W$^{56+}$ $-$ W$^{61+}$ ions are systematically investigated through two state-of-the-art methods, namely, the second-order many-body perturbation theory, and the multi-configuration…
As an unstable light pure leptonic system, positronium is a very specific probe atom to test bound state QED. In contrast to ordinary QED for free leptons, the bound state QED theory is not so well understood and bound state approaches…
Core-electron x-ray photoelectron spectroscopy is a powerful technique for studying the electronic structure and chemical composition of molecules, solids and surfaces. However, the interpretation of measured spectra and the assignment of…
Nuclear transparency in (e,e'p) reactions is evaluated in a fully relativistic distorted wave impulse approximation model. The relativistic mean field theory is used for the bound state and the Pauli reduction for the scattering state,…
A novel method is proposed that uses very slow electron elastic collisions with atoms to identify their presence through the observation of tenuously bound (electron impact energy, E<0.1 eV) and weakly bound (E<1 eV) negative ions, formed…
The present status of theoretical and experimental investigations of the decay rate of a positronium is considered. The increasing interest to this problem has been caused by the disagreement of the calculated value of $\Gamma_3 (o-Ps)$ and…
Within the Hubbard model, the ionization energy and electron affinity of the icosahedral C60 fullerene are calculated in the static fluctuation approximation. A graphical representation of the chemical potential equation is first obtained.…