Related papers: Density Matrix Functional Calculations for Matter …
We consider a one-dimensional model for many-electron atoms in strong magnetic fields in which the Coulomb potential and interactions are replaced by one-dimensional regularizations associated with the lowest Landau level. For this model we…
Static electric response properties of atoms and molecules are reported within the real-space Cartesian grid implementation of pseudopotential Kohn-Sham (KS) density functional theory (DFT). A detailed systematic investigation is made for a…
The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual basis for a full characterization of an electronic system in its ground state by just the one-body particle density. Part I of this review…
An analytical expression for the first-order density matrix of a charged, two-dimensional, harmonically confined quantum gas, in the presence of a constant magnetic field is derived. In contrast to previous results available in the…
Neutron stars with strong magnetic fields are considered in the framework of f(R) gravity. In order to describe dense matter in magnetic field, the model with baryon octet interacting through $\sigma$$\rho$$\omega$-fields is used. The…
We discuss torsional oscillations of highly magnetised neutron stars (magnetars) using two-dimensional, magneto-elastic-hydrodynamical simulations. Our model is able to explain both the low- and high-frequency quasi-periodic oscillations…
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 $A_{\mu}(R)$…
Fully numerical mesh solutions of 2D quantum equations of Schroedinger and Hartree-Fock type allow us to work with wavefunctions which possess a very flexible geometry. This flexibility is especially important for calculations of atoms and…
The density functional theory is used to study the electronic structure of a quantum wire in a magnetic field. The Kohn-Sham equations are solved numerically for different values of electron densities and filling factors. The critical…
We calculate ground-state energies and densities of a helium atom confined in an impenetrable spherical box within density functional theory. These calculations are performed by variationally solving Kohn-Sham equation with the ground-state…
Strongly magnetized symmetric nuclear matter is investigated within the context of effective baryon-meson exchange models. The magnetic field is coupled to the charge as well as the dipole moment of the baryons by including the appropriate…
A charged particle in a magnetic field possesses discrete energy levels associated with particle rotation around the field lines. A bound complex of particles with a nonzero net charge possesses an analogous levels associated with its…
Common density-matrix functionals, the M\"uller and the power functional, have been benchmarked for the half-filled Hubbard dimer, which allows to model the bond dissociation problem and the transition from the weakly to the strongly…
The self consistent version of the density functional theory (DFT) is presented, which allows to calculate the ground state and dynamic properties of finite multi-electron systems such as atoms, molecules and clusters. The exact functional…
We show that the energetics and lifetimes of resonances of finite systems under an external electric field can be captured by Kohn--Sham density functional theory (DFT) within the formalism of uniform complex scaling. Properties of…
We assess the partition function and ionization degree of magnetized hydrogen atoms at thermodynamic equilibrium for a wide range of field intensities, $B\approx 10^5$-$10^{12}$~G. Evaluations include fitting formulae for an arbitrary…
A Hartree--Fock analysis of the ground-state electronic structure of the finite spherical jellium model is carried out for systems containing up to $520$ electrons in a positive background field with densities ranging from $10^{-3}$ to $1$.…
The question of how density functional theory (DFT) compares with Hartree-Fock (HF) for the computation of momentum-space properties is addressed in relation to systems for which (near) exact Kohn-Sham (KS) and HF one-electron matrices are…
The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual basis for a full characterization of an electronic system in its ground state by just the one-body particle density. In this Part~II of a…
One of the central problems in quantum mechanics is to determine the ground state properties of a system of electrons interacting via the Coulomb potential. Since its introduction by Hohenberg, Kohn, and Sham, Density Functional Theory…