Related papers: Competing Generalized Wigner Crystal States in Moi…
We demonstrate that unrestricted Hartree-Fock theory applied to electrons in a uniform potential has stable Wigner crystal solutions for $r_s \geq 1.44$ in two dimensions and $r_s \geq 4.5$ in three dimensions. The correlation energies of…
Using an ansatz wave function for the ground state of rotating two-dimensional dipolar fermions, which occupy only partially the lowest Landau level, we study the correlation energy and elastic properties of the Wigner crystal of rotating…
Lattice Wigner crystal states stabilized by long-range Coulomb interactions have recently been realized in two-dimensional moir\'e materials. We employ large-scale unrestricted Hartree-Fock techniques to unveil the magnetic phase diagrams…
Recent experiments on the twisted transition metal dichalcogenide (TMD) material, $\rm WSe_2/WS_2$, have observed insulating states at fractional occupancy of the moir\'e bands. Such states were conceived as generalized Wigner crystals…
Using the Hartree-Fock approximation, we calculate the energy of different Wigner crystal states for the two-dimensional electron gas of a double quantum well system in a strong magnetic field. Our calculation takes interlayer hopping as…
Moir\'e superlattices host a rich variety of correlated topological states, including interaction-driven integer and fractional Chern insulators. A common approach to study interacting ground states at integer fillings is the Hartree-Fock…
We study a trial wavefunction for an interstitial in a Wigner crystal. We find that the electron correlations, ignored in a conventional Hartree-Fock treatment, dramatically lower the interstitial energy, especially at fillings close to an…
We perform Hartree-Fock calculations to show that quantum dots (i.e. two dimensional systems of up to twenty interacting electrons in an external parabolic potential) undergo a gradual transition to a spin-polarized Wigner crystal with…
Based on a symmetry argument we systematically reveal Hartree-Fock broken-symmetry solutions of the one-dimensional two-band extended Peierls-Hubbard model, which covers various materials of interest such as halogen-bridged metal complexes…
Ground state properties of SiC, AlN, GaN and InN in the zinc-blende and wurtzite structures are determined using an ab initio scheme. For the self-consistent field part of the calculations, the Hartree-Fock program Crystal has been used.…
We determine numerically the ground state of the two-dimensional, fully polarized electron gas within the Hartree-Fock approximation without imposing any particular symmetries on the solutions. At low electronic densities, the Wigner…
We calculate the ground state phase diagram of the homogeneous electron gas in three dimensions within the Hartree-Fock approximation and show that broken symmetry states are energetically favored at any density against the homogeneous…
We determine the ground state of the two-dimensional, fully polarized electron gas within the Hartree-Fock approximation without imposing any particular symmetries on the solutions. At low electronic densities, the Wigner crystal solution…
We study the collective states formed by two-dimensional electrons in Landau levels of index $n\ge 2$ near half-filling. By numerically solving the self-consistent Hartree-Fock (HF) equations for a set of oblique two-dimensional lattices,…
A recently proposed approach for performing electronic-structure calculations on crystalline insulators in terms of localized orthogonal orbitals is applied to the oxides of lithium and sodium, Li2O and Na2O. Cohesive energies, lattice…
Using an efficient cluster approach, we study the physics of two-dimensional lattice bosons in a strong magnetic field in the regime where the tunneling is much weaker than the on-site interaction strength. We study both dilute, hard core…
An ab initio Wannier-function-based approach to electronic ground-state calculations for crystalline solids is outlined. In the framework of the linear combination of atomic orbitals method the infinite character of the solid is rigorously…
Quantum particles on a lattice with competing long-range interactions are ubiquitous in physics. Transition metal oxides, layered molecular crystals and trapped ion arrays are a few examples out of many. In the strongly interacting regime,…
Transition metal dichalcogenide-based moire superlattices exhibit very strong electron-electron correlations, thus giving rise to strongly correlated quantum phenomena such as generalized Wigner crystal states. Theoretical studies predict…
The multi-configuration Dirac-Hartree-Fock method was employed to calculate the total and excitation energies, oscillator strengths and hyperfine structure constants for low-lying levels of Sm I. In the first-order perturbation…