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In recent years, there has been a growing interest in flatband systems which exhibit macroscopic degeneracies. These systems offer a valuable mathematical framework for the extreme sensitivity to perturbations and interactions. This…
The intrinsic geometric degree of freedom that was proposed to determine the optimal correlation energy of the fractional quantum Hall states, is analyzed for quantum confined planar electron systems. One major advantage in this case is…
Although the classical density functional theory (DFT) of inhomogeneous fluids was formulated more than four decades ago, its application to broken symmetry phases of molecular systems remained a challenge. Approximate free energy…
Density functional theory (DFT) provides convenient electronic structure methods for the study of molecular systems and materials. Regular Kohn-Sham DFT calculations rely on unitary transformations to determine the ground-state electronic…
Bipolaron formation in a two-dimensional lattice with harmonic confinement, representing a simplified model for a quantum dot, is investigated by means of quantum Monte Carlo simulations. This method treats all interactions exactly and…
We study the stability and structure of vortices emerging in two-dimensional quantum dots in high magnetic fields. Our results obtained with exact diagonalization and density-functional calculations show that vortex structures can be found…
The multiphoton coherent states, a generalization to coherent sates, are derived for electrons in bilayer graphene placed in a constant homogeneous magnetic field which is orthogonal to the bilayer surface. For that purpose a generalized…
Due to efficient scaling with electron number N, density functional theory (DFT) is widely used for studies of large molecules and solids. Restriction of an exact mean-field theory to local potential functions has recently been questioned.…
The thermodynamical ground-state properties and static response in both cold atoms at or close to unitarity and neutron matter are determined using a recently proposed Density Functional Theory (DFT) based on the s-wave scattering length…
Over many years, computational simulations based on Density Functional Theory (DFT) have been used extensively to study many different materials at the atomic scale. However, its application is restricted by system size, leaving a number of…
Improving the accuracy and thus broadening the applicability of electronic density functional theory (DFT) is crucial to many research areas, from material science, to theoretical chemistry, biophysics and biochemistry. In the last three…
High throughput screening of materials for technologically relevant areas, like identification of better catalysts, electronic materials, ceramics for high temperature applications and drug discovery, is an emerging topic of research. To…
Experimental form factors of the hydrogen and helium isotopes, extracted from an up-to-date global analysis of cross sections and polarization observables measured in elastic electron scattering from these systems, are compared to…
While the vast majority of calculations reported on molecular conductance have been based on the static non-equilibrium Green's function formalism combined with density functional theory, in recent years a few time-depedent approaches to…
We present an accurate local density-functional for electronic-structure calculations within the density functional theory (DFT). The functional is derived by analyzing the structure of the standard perturbative expansion of the correlation…
Typically, an interactive system evolves towards thermal equilibrium, with hydrodynamics representing a universal framework for its late-time dynamics. Classification of the dynamical fixed points (DFPs) of a driven Quantum Field Theory…
We introduced a new electron density n({\epsilon}) by projecting the spatial electron density n(r) onto the energy coordinate {\epsilon} defined with the external potential \upsion (r) of interest. Then, a density functional theory (DFT)…
The behavior of nuclear matter is studied at low densities and temperatures using classical molecular dynamics with three different sets of potentials with different compressibility. Nuclear matter is found to arrange in crystalline…
The electronic energy gap and total dipole moment of chemically functionalized hexagonal and triangular graphene quantum dots are investigated by the density functional theory. It has been found that the energy gap can be efficiently tuned…
An approximate analytical scheme of the dynamical mean field theory (DMFT) is developed for the description of the electron (ion) lattice systems with Hubbard correlations within the asymmetric Hubbard model where the chemical potentials…