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The band-gap problem and other systematic failures of approximate functionals are explained from an analysis of total energy for fractional charges. The deviation from the correct intrinsic linear behavior in finite systems leads to…
We analyze generalizations of two dimensional topological insulators which can be realized in interacting, time reversal invariant electron systems. These states, which we call fractional topological insulators, contain excitations with…
The electronic and magnetic properties of many strongly-correlated systems are controlled by a limited number of states, located near the Fermi level and well isolated from the rest of the spectrum. This opens a formal way for combining the…
The spectroscopic quality of covariant density functional theory has been accessed by analyzing the accuracy and theoretical uncertainties in the description of spectroscopic observables. Such analysis is first presented for the energies 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…
The influence of disorder and interaction on the ground state polarization of the two-dimensional (2D) correlated electron gas is studied by numerical investigations of unrestricted Hartree-Fock equations. The ferromagnetic ground state is…
The derivative discontinuity in the exact exchange-correlation potential of ensemble Density Functional Theory (DFT) is investigated at the specific integer number that corresponds to the maximum number of bound electrons, $J_{max}$. A…
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)…
Density functional theory (DFT), the most widely adopted method in modern computational chemistry, fails to describe accurately the electronic structure of strongly correlated systems. Here we show that DFT can be formally and practically…
Quantum dynamics of strongly correlated systems is a challenging problem. Although the low energy fractional excitations of one dimensional integrable models are often well-understood, exploring quantum dynamics in these systems remains…
We analyze the various approaches to construct exchange-correlation functionals which are able to describe states of definite spin multiplicity in the DFT realm and outline the characteristics of possible functionals consistent with the…
How condensed-matter simulations depend on the number of molecules being simulated ($N$) is sometimes itself a valuable piece of information. Liquid crystals provide a case in point. Light scattering and $2d$-IR experiments on…
We present systematic quantitative description of the magnetoconductance of the split-gate quantum wires. Accounting for the exchange and correlation interactions within the spin density function theory (DFT) leads to the lifting of the…
A proper theoretical description of electronic structure of the 3d orbitals in the metal centers of functional metalorganics is a challenging problem. In this letter, we apply density functional theory and an exact diagonalization method in…
Spin-charge separation is known to be broken in many physically interesting one-dimensional (1D) and quasi-1D systems with spin-orbit interaction because of which spin and charge degrees of freedom are mixed in collective excitations. Mixed…
Subsystem Density-Functional Theory (DFT) is an emerging technique for calculating the electronic structure of complex molecular and condensed phase systems. In this topical review, we focus on some recent advances in this field related to…
We study gapless quantum spin chains with spin 1/2 and 1: the Fredkin and Motzkin models. Their entangled groundstates are known exactly but not their excitation spectra. We first express the groundstates in the continuum which allows for…
A generalized Frenkel condition is proposed for use in spin hydrodynamics to relate the spin density and spin polarization (or spin chemical potential) tensors. It allows for independent treatment of electric- and magnetic-like components…
It is commonly believed that strongly interacting one-dimensional Fermi systems with gapless excitations are effectively described by Luttinger liquid theory. However, when the temperature of the system is high compared to the spin energy,…
We study a nonlinear magnetic metamaterial modeled as a split-ring resonator array, where the standard discrete laplacian is replaced by its fractional form. We find a closed-form expression for the dispersion relation as a function of the…