Related papers: Calculation of the positron bound state with the c…
A many-body theory approach to the calculation of gamma spectra of positron annihilation on many-electron atoms is developed. We evaluate the first-order correlation correction to the annihilation vertex and perform numerical calculations…
Large-scale relativistic configuration-interaction method combined with many-body perturbation theory is consistently applied to calculations of the energy levels of the ground and inner-L-shell excited states of berylliumlike ions in the…
The binding-energy differences for $^{163}\mathrm{Ho}^{q+}$ and $^{163}\mathrm{Dy}^{q+}$ ions with ionization degrees $q = 38$, $39$, and $40$ are calculated. The calculations are performed using the large-scale relativistic…
Many recent calculations have been performed to study a Co atom adsorbed on graphene, with significantly varying results on the nature of the bonding. We use auxiliary-field quantum Monte Carlo (AFQMC) and a size-correction embedding scheme…
Positron lifetimes have been calculated in bulk and monovacancies for most of the elements of the periodic table. Self-consistent and non-self-consistent schemes have been used for the calculation of the electronic structure in the solid,…
We benchmark three standard approximations for the many-body problem -- the Hartree-Fock, projected Hartree-Fock, and random phase approximations -- against full numerical configuration-interaction calculations of the electronic structure…
In the bound states in the continuum (BIC) the binding energy is positive, and the mass of a composite particle is greater than the total mass of its constituents. In this work the BIC state is studied for the electron-proton system with…
It is established within the Thomas -- Fermi model that a bound state of a proton with a heavy atom should exist. On the one hand, the electrons of the atom screen the proton's field. This decreases the repulsion force between the proton…
We trap cold, ground-state, argon atoms in a deep optical dipole trap produced by a build-up cavity. The atoms, which are a general source for the sympathetic cooling of molecules, are loaded in the trap by quenching them from a cloud of…
A basic quantity in the characterization of relativistic particles is the proton-to-electron (p/e) energy density ratio. We derive a simple approximate expression suitable to estimate this quantity, U_p/U_e = (m_p/m_e)^(3-q)/2, valid when a…
In this paper, we use density functional theory to calculate the electronic structure and properties of 46 metallic and semi-metallic elements. The binding energy and bond charge model (BBC) model is combined with the tight binding and…
Recently it has been proposed that the positron, the anti-particle analog of the electron, is capable of forming an anti-matter bond in a composite system of two hydride anions and a positron [Angew. Chem. Int. Ed. 57, 8859 (2018)]. In…
The aim of this work is to identify the mechanisms responsible for very large rates and other peculiarities observed in low-energy positron annihilation on molecules. The two mechanisms considered are: (i) Direct annihilation of the…
Correlated ab-initio ground-state calculations, using relativistic energy-consistent pseudopotentials, are performed for six II-VI semiconductors. Valence ($ns,np$) correlations are evaluated using the coupled cluster approach with single…
Energy levels, normal and specific mass shift parameters as well as electronic densities at the nucleus are reported for numerous states along the beryllium, boron, carbon, and nitrogen isoelectronic sequences. Combined with nuclear data,…
Properties of nuclear matter are investigated in the framework of relativistic Brueckner-Hartree-Fock model with the latest high-precision charge-dependent Bonn (pvCD-Bonn) potentials, where the coupling between pion and nucleon is adopted…
The equation of state of nuclear matter, momentum dependence of the effective interaction and in-medium modification of elastic nucleon-nucleon cross-sections are studied by comparing theoretical predictions for stopping, directed and…
Calculations of the positron-Li system were performed using the Stochastic Variational Method and yielded a minimum energy of -7.53208 Hartree for the L=0 ground state. Unlike previous calculations of this system, the system was found to be…
We consider diatomic systems in which the kinetic energy of the electrons is treated in a simple relativistic model. The Born-Oppenheimer approximation is assumed. We investigate questions of stability, deducing bounds on the number $N$ of…
Polaron binding energy and effective mass are calculated for semiconductors with wurtzite crystalline structure from the first order electron-phonon corrections to the self-energy. A recently introduced Frohlich-like electron-phonon…