Related papers: $N$-representability in non-collinear spin-polariz…
Quantum dots with conduction electrons or holes originating from several bands are considered. We assume the particles are confined in a harmonic potential and assume the electrons (or holes) belonging to different bands to be different…
Spin polarized states in neutron matter at strong magnetic fields up to $10^{18}$ G are considered in the model with the Skyrme effective interaction. Analyzing the self-consistent equations at zero temperature, it is shown that a…
The atomization energies of molecules from first-principles density functional approximations improve from the local spin-density approximation (LSDA) to the Perdew-Burke-Ernzerhof (PBE)) generalized gradient approximation (GGA) to the…
We have shown by using the exact solutions for the two-electron system in a parabolic confinement and a homogeneous magnetic field [ M.Taut, J Phys.A{\bf 27}, 1045 (1994) ] that both exact densities (charge- and the paramagnetic current…
The Brueckner--Hartree--Fock formalism is applied to study spin polarized neutron matter properties. Results of the total energy per particle as a function of the spin polarization and density are presented for two modern realistic…
Polaron formation in quasi-one-dimensional organic ferromagnets is studied based on an extended Su-Schrieffer-Heeger model combined with a Kondo term. The charge distribution of the polaron is found to be highly asymmetric under spatial…
The density of states for a finite or an infinite cluster of scatterers in the case of both electrons and photons can be represented in a general form as the sum over all Krein-Friedel contributions of individual scatterers and a…
As a proof of principle, self-consistent Kohn--Sham calculations are performed with the exact exchange-correlation functional. Finding the exact functional for even one trial density requires solving the interacting Schr\"odinger equation…
The density of non-quasiparticle states in the ferrimagnetic full-Heuslers Mn$_2$VAl alloy is calculated from first principles upon appropriate inclusion of correlations. In contrast to most half-metallic compounds, this material displays…
Recently, spin splitting of non-relativistic origin in compensated antiferromagnets has drawn growing attention in condensed matter research. Although many materials, now known to exhibit such spin splitting, have been studied for decades,…
Predictivity of the Kohn-Sham approach to dynamical problems, when regarded as an initial value problem in a time-dependent density functional framework, is analysed for a class of models for which the argument devised in the work of Maitra…
Density functional theory stems from the Hohenberg-Kohn-Sham-Mermin (HKSM) theorem in the grand canonical ensemble (GCE). However, as recent work shows, although its extension to the canonical ensemble (CE) is not straightforward, work in…
Reducing the many-fermion problem to a set of single-particle (s.p.) equations, the Kohn-Sham (KS) theory has provided a practical tool to implement \textit{ab initio} calculations of ground-state energies and densities in many-electron…
The Hohenberg-Kohn theorem and Kohn-Sham procedure are extended to functionals of the localized intrinsic density of a self-bound system such as a nucleus. After defining the intrinsic-density functional, we modify the usual Kohn-Sham…
We use polarization operators known from quantum theory of angular momentum to expand the $N \times N$ dimensional density operators. Thereby, we construct generalized Bloch vectors representing density matrices. We study their properties…
A recently developed formalism in which Kohn-Sham calculations are combined with an ``average pair density functional theory'' is reviewed, and some new properties of the effective electron-electron interaction entering in this formalism…
Properties of the vortex state in helical p-wave superconductor are studied by the quasi-classical Eilenberger theory. We confirm the instability of the helical p-wave state at high fields and that the spin-polarized local density of states…
The universal density functional $F$ of density-functional theory is a complicated and ill-behaved function of the density-in particular, $F$ is not differentiable, making many formal manipulations more complicated. Whilst $F$ has been well…
To construct an N-representable time-dependent density-functional theory, a generalization to the time domain of the Levy-Lieb (LL) constrained search algorithm is required. That the action is only stationary in the Dirac-Frenkel…
Spin-polarized transport through a band-gap-matched ZnSe/Zn_{1-x}Mn_{x} Se/ZnSe/Zn_{1-x}Mn_{x}Se/ZnSe multilayer structure is investigated. The resonant transport is shown to occur at different energies for different spins owing to the…