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The multiconfiguration Dirac-Hartree-Fock method is applied to study the electron affinities of At and its homologous elements Cl, Br, and I. Our method of calculation is validated through the comparison with the available experimental…
We study the influence of electron-electron interactions on the electronic properties of disordered materials. In particular, we consider the insulating side of a metal-insulator transition where screening breaks down and the…
We use the Gutzwiller Density Functional Theory to calculate ground-state properties and bandstructures of iron in its body-centered-cubic (bcc) and hexagonal-close-packed (hcp) phases. For a Hubbard interaction $U=9\, {\rm eV}$ and…
We have carried out theoretical investigations of electron correlation effects on the atomic properties of the Ca atom trapped inside an attractive spherically symmetric potential well of an endohedral fullerene C$_{60}$ cluster.…
The noble elements constitute the simplest group of atoms. At low temperatures or high pressures they freeze into the face-centered cubic (fcc) crystal structure (except helium). We perform molecular dynamics using the recently proposed…
Earlier theoretical results on $p$-$d$ and $d$-$d$ exchange interactions for zinc-blende semiconductors with $\mathrm{Cr}^{2{+}}$ and $\mathrm{Mn}^{3{+}}$ ions are revisited and extended by including contributions beyond the dominating…
A microscopic description of nuclei is important to understand the nuclear shell-model from fundamental principles. This is difficult to achieve for more than the lightest nuclei without an effective approximation scheme. The purpose of…
Deconfined strongly interacting QCD matter is produced in the laboratory at the highest energy densities in heavy-ion collisions at the LHC. A selection of recent results from ALICE is presented, spanning observables from the soft sector…
By comparing successful quark-gluon vertex interaction models with the corresponding interaction extracted from lattice-QCD data on the quark's propagator, we identify common qualitative features which could be important to tune future…
Hyperfine-structure constants of odd Ra$^{+}$ due to the interactions of nuclear magnetic dipole, electric quadrupole, and magnetic octupole moments with the electrons are investigated in the framework of relativistic coupled-cluster method…
An analytic solution of the Hartree-Fock problem for a 2DEG at filling 1/3 and half an electron per unit cell is presented. The Coulomb interaction dynamically breaks the first Landau level in three narrow sub-bands, one of which is fully…
We extend previous work on alkali halides by calculations for the heavy-atom species RbF, RbCl, LiBr, NaBr, KBr, RbBr, LiI, NaI, KI, and RbI. Relativistic effects are included by means of energy-consistent pseudopotentials, correlations are…
We analytically examine the pair interaction for parallel, discrete helices of charge. Symmetry arguments allow for the energy to be decomposed into a sum of terms, each of which has an intuitive geometric interpretation. Truncated Fourier…
Here we use a description of the electronic correlations contained in the Hubbard model on the square-lattice perturbed by very weak three-dimensional uniaxial anisotropy in terms of the residual interactions of charge $c$ fermions and…
Our main concern in this work is to show how higher shell admixtures affect the spectrum of a Q.Q interaction. We first review how, in the valence space, the familiar SU(3) result for the energy spectrum can be obtained using a coordinate…
Electrical resistivity in good metals, particularly noble metals such as gold (Au), silver (Ag), or copper, increases linearly with temperature ($T$) for $T > \Theta_{\mathrm{D}}$, where $\Theta_{\mathrm{D}}$ is the Debye temperature. This…
The binding energy of A3C60, a conductor, is described well by an ionic solid type calculation. This succeeds because there is little overlap between molecular wave functions on neighbouring sites, so that electrons are practically…
Roles of electron correlation effects in the determination of attachment energies, magnetic dipole hyperfine structure constants and electric dipole (E1) matrix elements of the low-lying states in the singly charged cadmium ion (Cd$^+$)…
We consider circular and elliptic quantum dots with parabolic external confinement, containing 0 - 22 electrons and with values of r_s in the range 0 < r_s < 3. We perform restricted and unrestricted Hartree-Fock calculations, and further…
We analytically calculate the nuclear-spin interactions of a single electron confined to a carbon nanotube or graphene quantum dot. While the conduction-band states in graphene are p-type, the accordant states in a carbon nanotube are…