Related papers: Calculation of the positron bound state with the c…
Atomic high-precision measurements have become a competitive and essential technique for tests of fundamental physics, the Standard Model, and our theory of gravity. It is therefore self-evident that such measurements call for a consistent…
We develop a model of molecular binding based on the Bohr-Sommerfeld description of atoms together with a constraint taken from conventional quantum mechanics. The model can describe the binding energy curves of H2, H3 and other molecules…
We incorporate explicit, non-perturbative treatment of spin-orbit coupling into ab initio auxiliary-field quantum Monte Carlo (AFQMC) calculations. The approach allows a general computational framework for molecular and bulk systems in…
Positron binding energies and Dyson orbitals for five-membered heterocycles with N, O, S and NH substituents are predicted \emph{ab initio} via many-body theory. The positron-molecule correlation potential (self energy) is calculated via…
A general method is presented to calculate absolute binding energies of core levels in metals and insulators, based on a penalty functional and an exact Coulomb cutoff method in a framework of the density functional theory. The spurious…
We report the implementation of equation-of-motion coupled-cluster (EOMCC) method in the four-component relativistic framework with the spherical atomic potential to generate the excited states from a closed-shell atomic configuration. This…
Donor-based quantum devices in silicon are attractive platforms for universal quantum computing and analog quantum simulations. The nearly-atomic precision in dopant placement promises great control over the quantum properties of these…
Equation of state for partially ionized carbon at temperatures T > ~ 10^5 K is calculated in a wide range of densities, using the method of free energy minimization in the framework of the chemical picture of plasmas. The free energy model…
The Configuration Interaction (CI) method is applied to the calculation of the structures of a number of positron binding systems, including e+Be, e+Mg, e+Ca and e+Sr. These calculations were carried out in orbital spaces containing about…
We use recently developed method of accurate atomic calculations which combines linearized single-double coupled cluster method with the configuration interaction technique to calculate ionisation potentials, excitation energies, static…
Relativistic atomic structure calculations are carried out in alkaline-earth-metal ions using a semiempirical-core-potential approach. The systems are partitioned into frozen-core electrons and an active valence electron. The core orbitals…
The non-relativistic energy levels of para-positronium are calculated in the quadrupole approximation of the interaction potential. This approximation technique takes into account the anisotropy of the electrostatic electron-positron…
The effect of a finite nuclear mass on the magnetic moment of the electron bound in the ground state of a hydrogen-like ion is analyzed. Using the exact in Z\alpha expression for the recoil shift of the energy, I calculate the order…
The energy losses at collisions of heavy multiplycharged ions with light atoms have been considered under circumstances the ion charge Z>>1 and the relative colliding velocity v>>1, so that Z~v=<c, where c - the light velocity (atomic units…
In this work we define single-particle potentials for a positron and a positronium atom interacting with light atoms (H, He, Li and Be) by inverting a single-particle Schr\"odinger equation. For this purpose, we use accurate energies and…
With the advent of detectors with sub-keV sensitivities, atomic ionization has been identified as a promising avenue to probe possible neutrino electromagnetic properties. The interaction cross-sections induced by millicharged neutrinos are…
The procedure for the energy calibration of the high granularity electromagnetic calorimeter PHOS of the ALICE experiment is presented. The methods used to perform the relative gain calibration, to evaluate the geometrical alignment and the…
The article considers the successful implementation of relativistic equation-of-motion coupled cluster method for the electron attachment problem (EA-EOMCC) at the level of single- and double- excitation approximation. The implemented…
The Configuration Interaction method is applied to investigate the possibility of positron binding to the metastable beryllium (1s^22s2p 3Po) state. The largest calculation obtained an estimated energy that was unstable by 0.00014 Hartree…
Binding energy of the $1^-$ state (ortho-positronium) in QED is calculated using the one-photon exchange Bethe-Salpeter equation in the Feynman and Coulomb gauges for different coupling constants $\alpha$. Calculations show there is a…