Related papers: A discrete density matrix theory for atoms in stro…

We study the ground state of a clean two-dimensional electron liquid in a weak magnetic field where $N \gg 1$ lower Landau levels are completely filled and the upper level is partially filled. It is shown that the electrons at the upper…

Density-functional theory requires an extra variable besides the electron density in order to properly incorporate magnetic-field effects. In a time-dependent setting, the gauge-invariant, total current density takes that role. A peculiar…

Elemental rare-earth metals provide a playground for studying novel electron correlation effects and complex magnetism. However, ab initio simulations of these systems remain challenging. Here, we employ fully charge self-consistent density…

We use density functional theory to study the structural, magnetic and electronic structure of the organo-metallic quantum magnet $\mathrm{NiCl_2-4SC(NH_2)_2}$ (DTN). Recent work has demonstrated the quasi-1D nature of the molecular crystal…

The electron motion in rather strong magnetic fields (when only the lowest Landau level is populated) is considered. In this case the electron kinetic energy is frozen out and the electrons are guided by slowly varied potential. Using the…

Two-dimensional moire superlattices have recently emerged as a fertile ground for creating novel electronic phases of matter with unprecedented control. Despite intensive efforts, theoretical investigation of correlated moire systems has…

We consider a system of particles interacting via a purely repulsive, soft-core potential recently introduced to model effective pair interactions between dendrimers, which is expected to lead to the formation of crystals with multiple…

We discuss the first theory for the depinning of low dimensional, incommensurate, charge density waves (CDWs) in the strong electron-phonon (e-p) regime. Arguing that most real CDWs systems invariably develop a gigantic dielectric constant…

Electrons in zero external magnetic field can be studied with density functional theory (DFT) or with spin-DFT (SDFT). The latter is normally used for open shell systems because its approximations appear to model better the exchange and…

This paper is divided into two parts. In the first one the von Weizs\"acker term is introduced to the Magnetic TF theory and the resulting MTFW functional is mathematically analyzed. In particular, it is shown that the von Weizs\"acker term…

According to the Hohenberg-Kohn theorem of density-functional theory (DFT), all observable quantities of systems of interacting electrons can be expressed as functionals of the ground-state density. This includes, in principle, the spin…

We study non-analytic behavior in the static charge susceptibility in finite density states of the ABJM theory using its holographic dual. Emphasis is placed on a particular state characterized by vanishing entropy density at zero…

We compute ground-state properties of the isotropic, antiferromagnetic Heisenberg model on the sodalite cage geometry. This is a 60-spin spherical molecule with 24 vertex-sharing tetrahedra which can be regarded as a molecular analogue of a…

The ground state of two-dimensional electron systems (2DESs) at low Landau level filling factors ($\nu\lesssim1/6$) has long been a topic of interest and controversy in condensed matter. Following the recent breakthrough in the quality of…

The density functional theory (DFT) is based on the existence and uniqueness of a universal functional $E[\rho]$, which determines the dependence of the total energy on single-particle density distributions. However, DFT says nothing about…

Density functional theory (DFT) has emerged as one of the most versatile and lucrative approaches in electronic structure calculations of many-electron systems in past four decades. Here we give an account of the development of a…

We present a complete set of analytical and invariant expressions for the steady-state density matrix of atoms in a resonant radiation field with arbitrary intensity and polarization. The field drives the closed dipole transition with…

A new electronic structure principle, viz. the minimum magnetizability principle (MMP) has been proposed and also has been verified through ab initio calculations, to extend the domain of applicability of the conceptual density functional…

Effective field theory (EFT) methods are applied to density functional theory (DFT) as part of a program to systematically go beyond mean-field approaches to medium and heavy nuclei. A system of fermions with short-range, natural…

We study the energetic properties of finite but internally homogeneous D-dimensional electron droplets in the strict-correlation limit. The indirect Coulomb interaction is found to increase as a function of the electron number, approaching…