相关论文: Challenging the Lieb-Oxford Bound in a systematic …

The possibility to extract properties of an interface between two immiscible liquids, e.g., electrolyte solutions or polyelectrolyte multilayers, by means of impedance spectroscopy is investigated theoretically within a dynamic density…

Our goal in this paper is twofold. First, we characterize the class of pairwise interactions for which the Seidl conjecture on the structure of optimal plans for the symmetric multimarginal optimal transport problem with one-dimensional…

We improve by an exponential factor the best known asymptotic upper bound for the density of sets avoiding 1 in Euclidean space. This result is obtained by a combination of an analytic bound that is an analogue of Lovasz theta number and of…

The dynamical properties and diffusive behavior of a collection of mutually interacting particles are numerically investigated for two types of long-range interparticle interactions: Coulomb-electrostatic and dipole-electrodynamic. It is…

How does charge density constrain many-body wavefunctions in nature? The Hohenberg-Kohn theorem for non-relativistic, interacting many-body Schr\"odinger systems is well-known and was proved using \emph{reductio-ad-absurdum}; however, the…

We calculate the effect of Coulomb interactions on the average density of states nu (omega) of two-dimensional disordered electrons. It is shown that for weak disorder the most singular terms in the perturbative expansion of nu (omega) can…

In this chapter we first review the Levy-Lieb functional, which gives the lowest kinetic and interaction energy that can be reached with all possible quantum states having a given density. We discuss two possible convex generalizations of…

The electron density, its gradient, and the Kohn-Sham orbital kinetic energy density are the local ingredients of a meta-generalized gradient approximation (meta-GGA). We construct a meta-GGA density functional for the exchange-correlation…

Effect of ionic solute on a near-critical binary aqueous mixture confined between charged walls with different adsorption preferences is considered within a simple density functional theory. For the near-critical system containing small…

We show that classical density functional theory can be based on the constrained search method [M. Levy, Proc. Natl. Acad. Sci. 76, 6062 (1979)]. From the Gibbs inequality one first derives a variational principle for the grand potential as…

The correlation energy in density functional theory can be expressed exactly in terms of the change in the probability of finding two electrons at a given distance $r_{12}$ (intracule density) when the electron-electron interaction is…

A tight binding model of electrons interacting via bare Coulomb repulsion is numerically investigated by use of the Density Matrix Renormalization Group method which we prove applicable also to very long range potentials. From the analysis…

Fluid dynamics is one of the cornerstones of modern physics and has recently found applications in the transport of electrons in solids. In most solids electron transport is dominated by extrinsic factors, such as sample geometry and…

The advancement of fabrication and lithography techniques of semiconductors have made it possible to study bi-layer systems made of two electronic layers separated by distances of several hundred Angstroms. In this situation the electrons…

We derive bounds on the volume of an inclusion in a body in two or three dimensions when the conductivities of the inclusion and the surrounding body are complex and assumed to be known. The bounds are derived in terms of average values of…

We establish the existence of weak solutions of a nonlinear radiation-type boundary value problem for elliptic equation on divergence form with discontinuous leading coefficient. Quantitative estimates play a crucial role on the real…

A curious behavior of electron correlation energy is explored. Namely, the correlation energy is the energy that tends to drive the system toward that of the uniform electron gas. As such, the energy assumes its maximum value when a…

It is difficult to intuit how electronic structure features$-$such as band gap magnitude, location of band extrema, effective masses, etc.$-$arise from the underlying crystal chemistry of a material. Here we present a strategy to distill…

We present a bouquet of continuity bounds for quantum entropies, falling broadly into two classes: First, a tight analysis of the Alicki-Fannes continuity bounds for the conditional von Neumann entropy, reaching almost the best possible…

We show that the traditional concept of the uniform electron gas (UEG) --- a homogeneous system of finite density, consisting of an infinite number of electrons in an infinite volume --- is inadequate to model the UEGs that arise in finite…