Related papers: Configuration Interaction calculations of positron…
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…
The Configuration Interaction method is used to demonstrate that there is an electronically stable state of positronic calcium with an orbital angular momentum of L=1. This prediction relies on the use of an asymptotic series to estimate…
Configuration Interaction (CI) calculations on the ground state of the C atom are carried out using a small basis set of Slater orbitals [7s6p5d4f3g]. The configurations are selected according to their contribution to the total energy. One…
The total energies of twenty eight bound S-, P-, D-, F-, G-, H-, and I-states in the three-electron systems Li atom and Be+ ion, respectively, are determined with the use of the Configuration Interaction (CI) with Slater orbitals and L-S…
Binding energies of the $^3P_0$ and $^3P_2$ levels of the $1s^2\,2s\,2p$ electron configuration in berylliumlike xenon are rigorously evaluated using ab initio QED approach. All relevant one- and many-electron QED contributions are…
The structure of the unnatural parity states of PsH, LiPs, NaPs and KPs are investigated with the configuration interaction and stochastic variational methods. The binding energies (in hartree) are found to be 8.17x10-4, 4.42x10-4,…
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…
The interactions between holes in the Hubbard model, in the low density, intermediate to strong coupling limit, are investigated by systematically improving mean field calculations. The Configuration Interaction basis set is constructed by…
Relativistic configuration-interaction calculations have been performed for the energy levels of the low-lying and core-excited states of beryllium-like argon, Ar$^{14+}$. These calculations include the one-loop QED effects as obtained by…
The Configuration Interaction (CI) method using orbitals centered on the nucleus has recently been applied to calculate the interactions of positrons interacting with atoms. Computational investigations of the convergence properties of…
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,…
Configuration interaction method is used to calculate transition amplitudes and other properties of the low states of dysprosium which are used in cooling and in study of the time variation of the fine structure constant and violation of…
We perform relativistic configuration-interaction calculations of the energy levels of the low-lying and core-excited states of beryllium-like iron, Fe$^{22+}$. The results include the QED contributions calculated by two different methods,…
In the framework of the multiconfiguration Dirac-Hartree-Fock method, we investigate the transition properties of four excited states in the $2p^53s$ configuration of neutral neon. The electron correlation effects are taken into account…
A new relativistic method for calculation of positron binding to atoms is presented. The method combines a configuration interaction treatment of the valence electron and the positron with a many-body perturbation theory description of…
A new method for constructing a Hamiltonian for configuration interaction calculations with constraints to energies of spherical configurations obtained with energy-density-functional (EDF) methods is presented. This results in a unified…
The beginning of the application of the method of interacting configurations in the complex number representation to the compound atomic systems has been presented. The spectroscopic characteristics of the Be atom in the problem of the…
The projection method is used to demonstrate the existence of positron attachment to three doubly excited states of helium. The e^+He(2s^2 1Se), e^+He(3s^2 1Se), and the e^+He(2s2p 3Po) states have binding energies of 0.447eV, 0.256eV and…
The ground and a few excited states of the beryllium atom in external uniform magnetic fields are calculated by means of our 2D mesh Hartree-Fock method for field strengths ranging from zero up to 2.35*10^9T. With changing field strength…
We present an ab initio study of dopant-dopant interactions in beryllium-doped InGaAs. We consider defect formation energies of various interstitial and substitutional defects and their combinations. We find that all…