相关论文: Analysis of quasi-planar defects using the Thomas-…

We study the ionization problem in the Thomas-Fermi-Dirac-von Weizs\"acker theory for atoms and molecules. We prove the nonexistence of minimizers for the energy functional when the number of electrons is large and the total nuclear charge…

Quantum corrections to Thomas-Fermi (TF) theory are investigated for noninteracting one-dimensional fermions with known uniform semiclassical approximations to the density and kinetic energy. Their structure is analyzed, and contributions…

We try to improve the Thomas-Fermi model for the total energy and electron density of atoms and molecules by directly modifying the Euler equation for the electron density, which we argue is less affected by nonlocal corrections. Here we…

We give the asymptotic behavior of the ground state energy of Engel's and Dreizler's relativistic Thomas-Fermi-Weizs\"acker-Dirac functional for heavy atoms for fixed ratio of the atomic number and the velocity of light. Using a variation…

We develop a low-energy field theory for electrically charged crystals. Using the tools of fracton-elasticity duality, generalized to accommodate the magnetic 1-form symmetry of electromagnetism, we show how the elastic and electromagnetic…

In order to obtain a reasonably accurate and easily implemented approach to many-electron calculations, we will develop a new Density Functional Theory (DFT). Specifically, we derive an approximation to electron density, the first term of…

Low-disorder two-dimensional electron systems in the presence of a strong, perpendicular magnetic field terminate at very small Landau level filling factors in a Wigner crystal (WC), where the electrons form an ordered array to minimize the…

We propose a density functional theory of Thomas-Fermi-Dirac-von Weizs\"acker type to describe the response of a single layer of graphene resting on a dielectric substrate to a point charge or a collection of charges some distance away from…

Using Thomas-Fermi (TF) and Thomas-Fermi-Dirac (TFD) models, we have investigated the properties of electron gas inside two-dimensional (2D) Wigner-Seitz (WS) cells in presence of a strong orthogonal quantizing magnetic field. The…

We present a robust discretization of the Ericksen model of liquid crystals with variable degree of orientation coupled with colloidal effects and electric fields. The total energy consists of the Ericksen energy, a weak anchoring (or…

A simple and computationally efficient scheme to calculate approximate imaginary-frequency dependent polarizability, hence asymptotic van der Waals coefficient, within density functional theory is proposed. The dynamical dipolar…

The t-J model is studied using a novel and rigorous mapping of the Gutzwiller projected electrons, in terms of canonical electrons. The mapping has considerable similarity to the Dyson-Maleev transformation relating spin operators to…

The average-density approximation is used to construct a nonlocal kinetic energy functional for an inhomogeneous two-dimensional Fermi gas. This functional is then used to formulate a Thomas-Fermi von Weizs\"acker-like theory for the…

We introduce the semiclassical limit to electronic systems by taking the limit $\hbar\rightarrow 0$ in the solution of Schr\"odinger equations. We show that this limit is closely related to one type of strong correlation that is…

The electronic structure (electron charges and spins) of a perfect crystal under external magnetic field is analyzed using the spin-polarized Thomas-Fermi-Dirac-von Weizsacker model. An extension of the classical Cauchy-Born rule for…

A semiclassical Thomas-Fermi method, including a Weizs\"acker gradient term, is implemented to describe ground states of two dimensional nanostructures of arbitrary shape. Time dependent density oscillations are addressed in the same spirit…

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…

We evaluate the electron emission current density from jellium metallic surfaces in the Thomas-Fermi-von-Weizs\"acker approximation. We implement the weighted density approximation (WDA) for description of the exchange and correlation…

The existence of Anderson localization, characterized by vanishing diffusion due to strong disorder, has been demonstrated in numerous ways. A systematic approach based on the Anderson quantum model of the Fermi gas in random lattices that…

We report a structural study of the Weyl semimetals TaAs and TaP, utilizing diffraction and imaging techniques, where we show that they contain a high density of defects, leading to non-stoichiometric single crystals of both semimetals.…