Related papers: Mean-field models for disordered crystals
We apply in a schematic model a theory beyond mean-field, namely Stochastic Time-Dependent Hartree-Fock (STDHF), which includes dynamical electron-electron collisions on top of an incoherent ensemble of mean-field states by occasional…
Mean-field theory of non-interacting disordered electron systems is widely and successfully used to describe equilibrium properties of alloys in the whole range of disorder strengths. It, however, fails to take into account effects of…
The effect of the Coulomb-interaction on persistent currents in disordered mesoscopic metal rings threaded by a magnetic flux $\phi$ is studied numerically. We use the simplest form of ``self-consistent'' Hartree theory, where the spatial…
Within the finite-field Kohn-Sham framework, static electric response properties of diatomic molecules are presented. The electronic energy, dipole moment ({\boldmath$\mu$}), static dipole polarizability ({\boldmath$\alpha$}) and…
We study electron localization in disordered quantum systems, focusing on both individual eigenstates and thermal states. We employ complex polarization as a numerical indicator to characterize the system's localization length. Furthermore,…
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 asymptotic behaviour of the Hartree equation is studied near translation-invariant steady states. For short-range interaction kernels satisfying a uniform Penrose stability condition, including the screened Coulomb interaction,…
We present a unified, global perspective on the magnetic properties of strongly disordered electronic systems, with special emphasis on the case where the ground state is metallic. We review the arguments for the instability of the…
The Copper-Oxygen planes in cuprates have been at the center of the search for a theory of high-temperature superconductivity. We conduct an extensive study of the ground state of the three-band Hubbard (Emery) model in the underdoped…
We present an unbiased mean-field analysis of magnetic and charge orders in the two-dimensional Hubbard model on a square lattice, both at zero and finite temperatures. Unrestricted Hartree-Fock calculations on large finite lattices are…
Electron Wigner solids (WSs)1-12 provide an ideal system for understanding the competing effects of electron-electron and electron-disorder interactions, a central unsolved problem in condensed matter physics. Progress in this topic has…
Magnetic and orbital structures in KCuF$_{3}$ are revisited by the cluster self-consistent field approach developed recently. We clearly showed that due to the inherent frustration, the ground state of the system with the superexchange and…
Systems of particles interacting with "stealthy" pair potentials have been shown to possess infinitely degenerate disordered hyperuniform classical ground states with novel physical properties. Previous attempts to sample the infinitely…
This chapter presents the development of a density functional theory (DFT)-based method for accurate, reliable treatment of various resonances in atoms. Many of these are known to be notorious for their strong correlation, proximity to more…
A detailed convex analysis-based formulation of density-functional theory for periodic systems in arbitrary dimensions is presented. The electron-electron interaction is taken to be of Yukawa type, harmonising with underlying function…
We study the Anderson-Hubbard model in the Hartree-Fock approximation and the exact diagonalization under the coexistence of short-range interaction and diagonal disorder. We show that there exist unconventional soft gaps, where the…
The experimental discoveries of fractional quantum anomalous Hall effects under zero magnetic fields in both transition metal dichalcogenide and pentalayer graphene moir\'e superlattices have aroused significant research interest. In this…
We develop an inhomogeneous mean-field theory for the extended Bose-Hubbard model with a quadratic, confining potential. In the absence of this potential, our mean-field theory yields the phase diagram of the homogeneous extended…
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…
We derive the mean-field theory of disordered block-copolymers composed of two monomeric species, combining Edwards' functional method with the replica technique of disordered systems. In the absence of disorder we recover the canonical…