Related papers: Band terminations in density functional theory
Entanglement is defined between subsystems of a quantum system, and at fixed time two regions of space can be viewed as two subsystems of a relativistic quantum field. The entropy of entanglement between such subsystems is ill-defined…
The modified local spin density functional and the related local potential for excited states is tested by employing the ionization potential theorem. The functional is constructed by splitting $k$-space. Since its functional derivative…
We prove the general chemical potential theorem: the noninteracting one-electron orbital energies in DFT ground states and $\Delta$SCF excited states are corresponding chemical potentials of electron addition or removal, from an…
We consider electron transport in a quantum wire with a side-coupled quantum ring in a two-dimensional model that accounts for a finite width of the channels. We use the finite difference technique to solve the scattering problem as well as…
While classical spin systems in random networks have been intensively studied, much less is known about quantum magnets in random graphs. Here, we investigate interacting quantum spins on small-world networks, building on mean-field theory…
The effect of a magnetic field on the energy spectrum and on the wave functions of an electron in spherical nano-structures such as single quantum dot and spherical layer is investigated. It is shown that the magnetic field removes the…
We report results of a numerical study of non-interacting electrons moving in a random potential in two dimensions in the presence of a weak perpendicular magnetic field. We study the topological properties of the electronic eigenstates…
We are studying finite fermion density states in Maxwell QED$_{2+1}$ with external magnetic field. It is shown that at any fermion density the energy of some magnetized states may be less than that of the state with the same density, but no…
The electronic structure is found to be understandable in terms of free-atom term values and universal interorbital coupling parameters, since self-consistent tight-binding calculations indicate that Coulomb shifts of the d-state energies…
We examine the orbital and magnetic order of the two orbital Hubbard model within dynamical mean field theory. The model describes the low energy physics of a partially filled $e_g$-band as can be found in some transition metal compounds.…
Using analytical formulas as well as a finite-difference scheme, we investigate the magnetic field dependence of the energy spectra and magnetic edge states of HgTe/CdTe-based quantum wells in the presence of perpendicular magnetic fields…
We reexamine the tunneling density of states in quantum dots and nanoparticles within the model which is extension of the universal Hamiltonian to the case of uniaxial anisotropic exchange. We derive the exact analytical result for the…
The ground state energy of a system of electrons and nuclei is proven to be a variational functional of the conditional electronic density $n_R(\mathbf{r})$, the nuclear wavefunction $\chi(R)$ and an induced vector potential $A_{\mu}(R)$…
We study numerically the paramagnetic phase of the spin-1/2 random transverse-field Ising chain, using a mapping to non-interacting fermions. We extend our earlier work, Phys. Rev. 53, 8486 (1996), to finite temperatures and to dynamical…
We conpare predictions of the mean-field theory of supercnductivity for metallic systems on the border of a density instability for cubic and tetragonal lattices. The calculations are based on a parametrisation of an effective interaction…
Our model calculations performed in the frame of the Relativistic Mean Field (RMF) approach show how important are the modifications of nucleon Structure Function (SF) in Nuclear Matter (NM) above the saturation point. They originated from…
The quantum mechanical ground state of a 2D $N$-electron system in a confining potential $V(x)=Kv(x)$ ($K$ is a coupling constant) and a homogeneous magnetic field $B$ is studied in the high density limit $N\to\infty$, $K\to \infty$ with…
Recently it has been pointed out that in the two-baryon $N\Delta$ or $\Delta\Delta$ system the width of the state is greatly diminished due to the relative kinetic energy of the two baryons, since the internal energy of the particles,…
The fit of the experimental data on c-axis magnetoresistance of HTS above the transition temperature with the theory based on the fluctuation renormalization of the one-electron density of states (DOS) is exellent in weak magnetic fields…
The effects of magnetism on high pressure properties of transition metals and transition metal compounds can be quite important. In the case of Fe, magnetism is responsible for stability of the body-centered cubic (bcc) phase at ambient…