Related papers: Exchange assisted tunneling and positron annihilat…
We analyzed the Hartree-Fock approximation for an electron system. The interaction between particles is modeled by a non-Coulombian potential. We analyzed both the three-dimensional and two-dimensional systems. We obtained accurate…
While the exact total energy of a separated open system varies linearly as a function of average electron number between adjacent integers, the energy predicted by semi-local density functional approximations curves upward and the…
Extending density functional theory (DFT) to an {\it ab initio} orbital functional theory (OFT) requires new methodology for nonlocal exchange and correlation potentials. This paper describes such modifications to a standard Dirac-Slater…
External non-uniform magnetic fields acting on molecules induce non-collinear spin-densities and spin-symmetry breaking. This necessitates a general two-component Pauli spinor representation. In this paper, we report the implementation of a…
In this study, a fully self-consistent method was developed to obtain the wave functions of the positron and electrons in molecules simultaneously. The wave function of a positron at room temperature , with a characteristic energy of…
The differential cross-section of the single-photon annihilation of channeled positron on the K-shell electron of one of the crystal atoms is calculated and angular distribution of emitted photons is investigated. It is shown that…
We investigated the out-of-plane transport properties of parent and chemically substituted BaFe$_{2}$As$_{2}$ for various types of substitution. Based on the studies of Hall coefficient and chemical-substitution effect, we have clarified…
In the article by Ma~\emph{et al.}~[Phys.~Rev.~A {\bf 94}, 052709 (2016)], $\gamma$-ray spectra for positron annihilation on molecules were calculated in the independent-particle approximation with the positron wavefunction set to unity.…
We show that the electric field-induced thermal asymmetry between the electron and lattice systems in pure silicon substantially impacts the identity of the dominant spin relaxation mechanism. Comparison of empirical results from…
We demonstrate that the angular distribution of electrons knocked out from an atom by a fast charge particle is determined not only by dipole but also by quadrupole transitions, the contribution of which can be considerably enhanced as…
Electron correlation effects play a key role in stabilising two-electron atoms near the critical nuclear charge, representing the smallest charge required to bind two electrons. However, deciphering the importance of these effects relies on…
We present evidence for small oscillations we observe in electron-positron and proton-antiproton annihilation data, with a periodicity of 76+-2 MeV, independent of the beam energy. We discuss some possible scenarios to explain the…
Symmetric electron-positron plasmas in inhomogeneous magnetic fields are intrinsically subject to interchange instability and transport. Scaling relations for the propagation velocity of density blob perturbations relevant to transport in…
Standard density functional approximations greatly over-estimate the static polarizability of longchain polymers, but Hartree-Fock or exact exchange calculations do not. Simple self-interaction corrected (SIC) approximations can be even…
Mijnarends et al. [J. Phys. Condens. Matter {\bf 10}, 10383 (1998)] contested the best existing calculations of positron annihilation rates in jellium and crystal lattices, pointing in this way at deficiencies of existing theories of…
In the Milky Way galaxy, positrons, which are responsible for the diffuse $511\,\mathrm{keV}$ gamma ray emission observed by space-based gamma ray observatories, are thought to annihilate predominantly through charge exchange interactions…
Fractional-spin errors are inherent in all current approximate density functionals, including Hartree-Fock theory, and their origin has been related to strong static correlation effects. The conventional way to encode fractional-spin…
Shuttle-like mechanism of electron transport through a single level vibrating quantum dot is considered in the regime of strong electromechanical coupling. It is shown that the increment of shuttle instability is a nonmonotonic function of…
We investigate the properties of norm-conserving pseudopotentials (effective core potentials) generated by inversion of the Hartree-Fock equations. In particular we investigate the asymptotic behaviour as $\mathbf{r} \to \infty$ and find…
Evolutions of single-particle energies and Z=64 sub-shell along the isotonic chain of N=82 are investigated in the density dependent relativistic Hartree-Fock (DDRHF) theory in comparison with other commonly used mean field models such as…