Related papers: Configuration Interaction calculations of positron…
Following the recent work of Eriksen et al. [arXiv:2008.02678], we report the performance of the \textit{Configuration Interaction using a Perturbative Selection made Iteratively} (CIPSI) method on the non-relativistic frozen-core…
Total electronic correlation correction to the binding energies of the isoelectronic series of Beryllium, Neon, Magnesium and Argon, are calculated in the framework of relativistic multiconfiguration Dirac-Fock method. Convergence of the…
In this paper we present results of ab-initio calculations for the beryllium dimer with basis set of Slater-type orbitals (STOs). Nonrelativistic interaction energy of the system is determined using the frozen-core full configuration…
The multiconfiguration Dirac-Hartree-Fock (MCDHF) and relativistic configuration interaction (RCI) methods are used to provide excitation energies, radiative transition data, lifetimes, Lande g-factors, hyperfine interaction constants and…
We carry out a microscopic analysis of the ground and excited states of the Na_8 metal cluster within the jellium model. We perform a series of configuration interaction calculations on a Hartree-Fock basis and construct eigenstates of the…
The electronically excited states of methylene (CH$_2$), ethylene (C$_2$H$_4$), butadiene (C$_4$H$_6$), hexatriene (C$_6$H$_8$), and ozone (O$_3$) have long proven challenging due to their complex mixtures of static and dynamic…
Positron binding to anions is investigated within the work formalism proposed by Harbola and Sahni for the halide anions and the systems Li^- through O^- excluding Be^- and N^-. The toal ground-state energies of the anion-positron bound…
The binding energies of the excited states of positronium are calculated using the two body Dirac equations of constraint formalism. The results from nonperturbative evaluation are compared to those from perturbative evaluation. The…
The polarizabilities and hyperpolarizabilities of the Be$^+$ ion in the $2^2S$ state and the $2^2P$ state are determined. Calculations are performed using two independent methods: i) variationally determined wave functions using Hylleraas…
The low-lying structure of $^{13}$Be has remained an enigma for decades. Despite numerous experimental and theoretical studies, large inconsistencies remain. Being both unbound, and one neutron away from $^{14}$Be, the heaviest bound…
The possible bound state of the $ _{c\bar{c}}^{9}$Be, a charmonium-nucleus system, is investigated. The analysis is carried out within a three-cluster model, where its binary subsystems are represented as $ c\bar{c}\textrm{+}\alpha $ and…
Effect of the electric quadrupole moment, $Q$, is studied for positron-atom bound systems. It is demonstrated that for $Q >50$ a.u. the electric quadrupole potential is sufficiently strong to bind positron (or electron) even in the absence…
We calculate excitation energies for low states of nobelium, including states with open $5f$ subshell. An efficient version of the many-electron configuration-interaction method for treating the atom as a sixteen external electrons system…
Positron binding in parabenzoquinone is studied using \textit{ab initio} many-body theory. The effects of electron-positron correlations including polarization, virtual positronium formation and positron-hole repulsion, as well as those of…
We calculated the magnetic dipole and the electric quadrupole hyperfine interaction constants of 3s3p $^{3,1}P^o_1$ states and the isotope shift, including mass and field shift, factors for transitions from these two states to the ground…
Calculations of the positron binding energies to all atoms in the periodic table are presented and atoms where the positron-atom binding actually exists are identified. The results of these calculations and accurate calculations of other…
Present atomic theory provides accurate and reliable results for atoms with a small number of valence electrons. However, most current methods of calculations fail when the number of valence electrons exceeds four or five. This means that…
Beryllium (Be) is an important material with wide applications ranging from aerospace components to X-ray equipments. Yet a precise understanding of its phase diagram remains elusive. We have investigated the phase stability of Be using a…
The off-diagonal hyperfine interaction between the 6p1/2 and 6p3/2 states in 133Cs is evaluated in third-order MBPT giving 37.3 Hz and 48.3 Hz, respectively, for second-order energies of the 6p3/2 F=3 and F=4 levels. This result is a factor…
Since the '30s the interatomic potential of the beryllium dimer Be$_2$ has been both an experimental and a theoretical challenge. Calculating the ground-state correlation energy of Be$_2$ along its dissociation path is a difficult problem…