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

We present a systematic study clarifying an electronic correlation trend of electrides from first principles. By using the maximally localized Wannier function and the constrained random phase approximation, we calculated the electronic…

We construct a nonlocal density functional approximation with full exact exchange, while preserving the constraint-satisfaction approach and justified error cancellations of simpler semilocal functionals. This is achieved by interpolating…

This article deals with Coulomb gases at an intermediate temperature regime, in which no structure is observed at the microscopic level, but the mass in confined to a compact set. Our main result is a concentration inequality around the…

We prove that the electron density function of a real physical system can be uniquely determined by its values on any finite subsystem. This establishes the existence of a rigorous density-functional theory for any open electronic system.…

We study equilibrium statistical mechanics of classical point counter-ions, formulated on 2D Euclidean space with logarithmic Coulomb interactions (infinite number of particles) or on the cylinder surface (finite particle numbers), in the…

Structural and thermodynamic properties of ionic fluids are related to those of a simpler ``mimic'' system with short ranged intermolecular interactions in a spatially varying effective field by use of Local Molecular Field (LMF) theory,…

The constrained-search formulation of Levy and Lieb, which formally defines the exact Hohenberg-Kohn functional for any N-representable electron density, is here shown to be equivalent to the minimization of the correlation functional with…

New non-linear, spatially periodic, long wavelength electrostatic modes of an electron fluid oscillating against a motionless ion fluid (Langmuir waves) are given, with viscous and resistive effects included. The cold plasma approximation…

Solid state physics deals with systems composed of atoms with strongly bound electrons. The tunneling probability of each electron is determined by interactions that typically extend to neighboring sites, as their corresponding wave…

A quantum antidot, a submicron depletion region in a two-dimensional electron system, has been actively studied in the past two decades, providing a powerful tool for understanding quantum Hall systems. In a perpendicular magnetic field,…

We consider two sharp next-order asymptotics problems, namely the asymptotics for the minimum energy for optimal point configurations and the asymptotics for the many-marginals Optimal Transport, in both cases with Riesz costs with inverse…

When the electron density of highly crystalline thin films is tuned by chemical doping or ionic liq- uid gating, interesting effects appear including unconventional superconductivity, sizeable spin-orbit coupling, competition with…

We introduce a new form of density functional theory for the {\em ab initio} description of electronic systems in contact with a molecular liquid environment. This theory rigorously joins an electron density-functional for the electrons of…

We give a new, short proof of the regularity away from the nuclei of the electronic density of a molecule obtained in [1,2]. The new argument is based on the regularity properties of the Coulomb interactions underlined in [3,4] and on…

The understanding of the mechanisms responsible for superconductivity in strongly correlated systems is an interesting and important subject in condensed matter physics. Several theoretical proposals were considered for these systems. The…

As a class of electron-rich materials, electrides demonstrate promising applications in many fields. However, the required high pressure restricts the practical applications to some extent. This study reveals that the unique feature of…

We analyze superconducting instabilities in 3D and 2D extended Hubbard model with Coulomb repulsion between electrons on neighboring sites in the limit of low electron density ($n_{el} \rightarrow 0$) on simple cubic (square) lattice. We…

The exchange-correlation energy in Kohn-Sham density functional theory can be expressed exactly in terms of the change in the expectation of the electron-electron repulsion operator when, in the many-electron hamiltonian, this same operator…

The distribution of noncollinear magnetism in an electronic system provides information about the kinetic energy as well as some kinetic energy densities. Two different everywhere-positive kinetic densities related to the…

The Coulomb Green's function (GF) for non-relativistic charged particle in field of attractive Coulomb force is extended to describe the interaction of two non-relativistic electrons through repulsive Coulomb forces. Closed-form expressions…