Related papers: A discrete density matrix theory for atoms in stro…
A critical challenge for density functional theory (DFT) in practice is its limited ability to treat static electron correlation, leading to errors in its prediction of charges, multiradicals, and reaction barriers. Recently, we combined…
Flat bands result in a divergent density of states and high sensitivity to interactions in physical systems. While such bands are well known in systems under magnetic fields, their realization and behavior in zero-field settings remain…
We study the Fermi level structure of (2+1)-dimensional strongly interacting electron systems in external magnetic field using the AdS/CFT correspondence. The gravity dual of a finite density fermion system is a Dirac field in the…
We study here the onset of charge density wave instabilities in quantum Hall systems at finite temperature for Landau level filling $\nu>4$. Specific emphasis is placed on the role of disorder as well as an in-plane magnetic field. Beyond…
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 fractional quantum Hall effect remains a captivating area in condensed matter physics, characterized by strongly correlated topological order, which manifests as fractionalized excitations and anyonic statistics. Numerical simulations,…
The Breit correction, the finite-light-speed correction for the Coulomb interaction of the electron-electron interaction in $ O \left( 1/ c^2 \right) $, is introduced to density functional theory (DFT) based on the non-relativistic…
Tight binding electrons on a honeycomb lattice are described by an effective Dirac theory at low energies. Lowering symmetry by an alternate ionic potential ($\Delta$) generates a single-particle gap in the spectrum. We employ the dynamical…
A new application of the density matrix renormalization group (DMRG) method to a system composed of an interacting dot coupled to a infinite one dimensional lead is presented. This method enables one to study the influence of the coupling…
This thesis investigates the magnetic, spectral, and transport properties of strongly correlated electronic systems, with a primary focus on the Hubbard model and its extensions relevant for real materials. Within the dynamical mean-field…
We study the ground state properties of rectangular quantum dots by using the spin-density-functional theory and quantum Monte Carlo methods. The dot geometry is determined by an infinite hard-wall potential to enable comparison to…
In this paper, we investigate the electron Landau-level stability and its influence on the electron Fermi energy, $E_{\rm F}(e)$, in the circumstance of magnetars, which are powered by magnetic field energy. In a magnetar, the Landau levels…
Based on our derivation of finite temperature reduced density matrix functional theory and the discussion of the performance of its first-order functional this work presents several different correlation-energy functionals and applies them…
The spatial distribution of electric current under magnetic field and the resultant orbital magnetism have been studied for two-dimensional electrons under a harmonic confining potential $V(\vecvar{r})=m \omega_0^2 r^2/2$ in various regimes…
Nuclear matter properties based on a relativistic approach suitable for the description of multi-component systems are calculated. We use a set of nuclear relativistic mean-field models that satisfy acceptable nuclear matter properties and…
We describe an experimental technique to measure the chemical potential, $\mu$, in atomically thin layered materials with high sensitivity and in the static limit. We apply the technique to a high quality graphene monolayer to map out the…
At low densities, electrons confined to two dimensions in a delta-doped heterostructure can arrange themselves into self-consistent droplets due to disorder and screening effects. We use this observation to show that at low temperatures,…
The electronic structure of selected rare-earth atoms adsorbed on a free-standing graphene was investigated using methods beyond the conventional density functional theory (DFT+U, DFT+HIA and DFT+ED). The influence of the electron…
Density Functional Theory (DFT) calculations, within the virtual crystal alloy approximation, are performed, along with the development of a Landau-type model employing a symmetry-allowed analytical expression of the internal energy and…
Starting from Newton's equations of motion, we derive a dynamical density functional theory (DDFT) applicable to atomic liquids. The theory has the feature that it requires as input the Helmholtz free energy functional from equilibrium…