Related papers: Ground-state densities and pair correlation functi…
We study theoretically the electron states in a system of two vertically stacked quantum dots. We investigate the influence of the geometrical symmetry breaking (caused by the displacement as well as the ellipticity of the dots) on the…
We consider density functionals for exchange and correlation energies in two-dimensional systems. The functionals are constructed by making use of exact constraints for the angular averages of the corresponding exchange and correlation…
Since Spin Density Functional Theory was first proposed, but also recently, examples were constructed to show that a spin-potential may share its ground state with other spin-potentials. In fact, for collinear magnetic fields and systems…
We review the latest variational calculations of the ground state properties of doubly closed shell nuclei, from $^{12}$C to $^{208}$Pb, with semirealistic and realistic two- and three-nucleon interactions. The studies are carried on within…
Quantum entanglement is analyzed thoroughly in the case of the ground and lowest states of two-electron axially symmetric quantum dots under a perpendicular magnetic field. The individual-particle and the center-of-mass representations are…
Accurately describing strong electron correlation in complex systems remains a prominent challenge in computational chemistry as near-term quantum algorithms treating total correlation often require prohibitively deep circuits. Here we…
We discuss physical properties of strongly correlated electron states for a linear chain obtained with the help of the recently proposed new method combining the exact diagonalization in the Fock space with an ab initio readjustment of the…
Ground and excited states of a confined negative Hydrogen ion has been pursued under Kohn-Sham density functional approach by invoking a physically motivated work-function-based exchange potential. The exchange-only results are of near…
In this paper we present a new approach how to extract polarization-dependent exchange-correlation energy densities for two-dimensional systems from reference densities and energies of quantum dots provided by exact diagonalization.…
By introducing a phase field and solving the eigen-functional equation of particles, we obtain the exact expressions of the ground state energy as a functional of the particle density for interacting electron/boson systems, and a…
The structure of the lowest states of a three-electron axially symmetric parabolic quantum dot in a zero magnetic field is investigated. It is shown that the electronic density of the triplet states possesses certain approximate symmetry…
We calculate the electronic states of Al$_x$Ga$_{1-x}$As/GaAs/Al$_x$Ga$_{1-x}$As double heterojunctions subjected to a magnetic field parallel to the quasi two-dimensional electron gas. We study the energy dispersion curves, the density of…
Motivated by the controversy between quantum chemists and solid-state physicists, and by recent experimental results, spin-polarized density-functional (DFT) calculations are used to probe electron correlation in the Si(100) reconstructed…
We present a general multi-component density functional theory in which electrons and nuclei are treated completely quantum mechanically, without the use of a Born-Oppenheimer approximation. The two fundamental quantities in terms of which…
We perform a numerical simulation of mapping of charge confined in quantum dots by the scanning probe technique. We solve the few-electron Schr\"odinger equation with the exact diagonalization approach and evaluate the energy maps in…
We present a controlled method for computing the exchange coupling in strongly correlated one-dimensional electron systems. It is based on the asymptotically exact relation between the exchange constant and the pair-correlation function of…
Pairwise quantum correlations in the ground state of a N-spins antiferromagnetic chain described by the Heisenberg model with nearest neighbor exchange coupling are investigated. By varying a single coupling between two neighboring sites it…
Second order perturbation theory and a Lipkin-Nogami scheme combined with an exact Monte Carlo projection after variation are applied to compute the ground-state energy of $6\le N\le 210$ electron-hole pairs confined in a parabolic…
The ground state phase diagram of two-dimensional electrons in high magnetic field is studied by the density matrix renormalization group (DMRG) method. The low energy excitations and pair correlation functions in Landau levels of N=0,1,2…
We explore the role of electron correlation in quasi one dimensional quantum wires as the range of the interaction potential is changed and their thickness is varied by performing exact quantum Monte Carlo simulations at various electronic…