相关论文: Configuration Interaction calculations of positron…
Traditional multiconfiguration Hartree-Fock (MCHF) and configuration interaction (CI) methods are based on a single orthonormal orbital basis (OB). For atoms with complicated shell structures, a large OB is needed to saturate all the…
Positron binding energies in the negative ions H$^-$, F$^-$, Cl$^-$ and Br$^-$, and the closed-shell atoms Be, Mg, Zn and Ca, are calculated via a many-body theory approach developed by the authors [J.~Hofierka \emph{et al.} Nature~{\bf…
The effective barrier height between an electrode and a ferroelectric (FE) depends on both macroscopic electrical properties and microscopic chemical and electronic structure. The behavior of a prototypical electrode/FE/electrode structure,…
The energies of the low-lying isoscalar and isovector ud anti-s anti-s configurations with spin-parity J^P=0^+, 1^+, and 2^+ are calculated in a non-relativistic constituent quark model by use of the variational method. The contributions of…
The hyperfine induced $2s2p ^3P_0, ^3P_2 \to 2s^2 ^1S_0$ E1 transition probabilities of Be-like ions were calculated using grasp2K based on multi-configuration Dirac-Fock method and HFST packages. It was found that the hyperfine quenching…
Positronium annihilation amplitudes that are computed by assuming a factorization approximation with on-shell intermediate leptons, do not exhibit good analytical behavior. We propose an ansatz which allows to include binding energy…
Instabilities for boson-fermion mixed condensates of trapped Alkali atoms due to the boson-fermion attractive interaction are studied using a variational method. Three regions are shown for their instabilities according to the boson-fermion…
In this work a two-particle irreducible (2PI) closed-time-path (CTP) effective action is used to describe the nonequilibrium dynamics of a Bose Einstein condensate (BEC) selectively loaded into every third site of a one-dimensional optical…
The formation/binding energetics and length scales associated with the interaction between He atoms and grain boundaries in BCC alpha-Fe was explored. Ten different low Sigma grain boundaries from the <100> and <110> symmetric tilt grain…
Energy levels and emission spectra of $W^{25+}$ ion have been studied by performing the large-scale relativistic configuration interaction calculations. Configuration interaction strength is used to determine the configurations exhibiting…
A model for positron binding to polar molecules is considered by combining the dipole potential outside the molecule with a strongly repulsive core of a given radius. Using existing experimental data on binding energies leads to…
We report multiconfiguration Dirac-Hartree-Fock and relativistic configuration interaction calculations on the Thallium (Tl) electron affinity, as well as on the excited energy levels arising from the ground configuration of Tl$^-$. The…
No lines have been observed for transitions between the doublet and quartet levels of B I. Consequently, energy levels based on observation for the latter are obtained through extrapolation of wavelengths along the iso-electronic sequence…
We have completed theoretical predictions for positronium energy levels through order alpha^6 m by the calculation of the spin independent, radiative recoil correction. This contribution is significant and amounts to 10.64 MHz for the 1S…
Oxide heterointerfaces constitute a rich platform for realizing novel functionalities in condensed matter. A key aspect is the strong link between structural and electronic properties, which can be modified by interfacing materials with…
We assume a triple geometric structure for the electromagnetic nuclear interaction. This nuclear electromagnetism is used to calculate the binding energies of the alpha particle and the A=3 isobar nuclides. The approximation for the…
The two-particle correlation technique applied to $K^-\Lambda$ pairs in pp collisions at LHC recently provided the most precise data on the strangeness $S=-2$ meson-baryon interaction. In this letter, we use for the first time femtoscopic…
The confined variational method in conjunction with the orthogonalizing pseudo-potential method and the stabilization method is used to study the low energy elastic scattering between two spin-polarized metastable positronium…
We investigate the interaction of metastable 2S hydrogen atoms with a perfectly conducting wall, including parity-breaking S-P mixing terms (with full account of retardation). The neighboring 2P_1/2 and 2P_3/2 levels are found to have a…
We present an ab initio method of calculation of isotope shift in atoms with a few valence electrons, based on the configuration-interaction calculation of energy. The main motivation for developing the method comes from the need to analyze…