Related papers: Locality of the Thomas-Fermi-von Weizs\"acker Equa…
We analyze the convergence of the electron density and relative energy with respect to a perfect crystal of a class of volume defects that are compactly contained along one direction while being of infinite extent along the other two using…
The aim of this article is to propose a mathematical model describing the electronic structure of crystals with local defects in the framework of the Thomas-Fermi-von Weizs\"acker (TFW) theory. The approach follows the same lines as that…
In the computation of the material properties of random alloys, the method of "special quasirandom structures" attempts to approximate the properties of the alloy on a finite volume with higher accuracy by replicating certain statistics of…
We investigate the source of error in the Thomas-Fermi-von Weizs\"acker (TFW) density functional relative to Kohn-Sham density functional theory (DFT). In particular, through numerical studies on a range of materials, for a variety of…
We systematically develop a density functional description for the equilibrium properties of a two-dimensional, harmonically trapped, spin-polarized dipolar Fermi gas based on the Thomas-Fermi von Weizs\"acker approximation. We pay…
We study the homogenization of the Thomas-Fermi-von Weizsacker (TFW) model for 2D materials. It consists in considering 2D-periodic nuclear densities with periods going to zero. We study the behavior of the corresponding ground state…
We consider two nonlocal variational models arising in physical contexts. The first is the Thomas-Fermi-Dirac-von Weiz\"{a}cker (TFDW) model, introduced in the study of ionization of atoms and molecules, and the second is the liquid drop…
We consider minimization problems of the Thomas-Fermi-Dirac-von Weizs\"{a}cker (TFDW) type, in which the Newtonian potential is perturbed by a background potential satisfying mild conditions and which ensures the existence of minimizers. We…
We assess the ability of the Thomas--Fermi--von Weizsacker (TFW) functional within orbital-free density functional theory (DFT) to describe itinerant magnetism. Magnetic stability is evaluated through the susceptibility obtained from the…
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 provide {\it a priori} error estimates for the spectral and pseudospectral Fourier (also called planewave) discretizations of the periodic Thomas-Fermi-von Weizs\"acker (TFW) model and of the Kohn-Sham model, within the local density…
In this paper, we embark on a captivating exploration of the stabilization of locally transmitted problems within the realm of two interconnected wave systems. To begin, we wield the formidable Arendt-Batty criteria\cite{AW} to affirm the…
We consider the zero mass limit of a relativistic Thomas-Fermi-Weizsaecker model of atoms and molecules. We find bounds for the critical nuclear charges that ensure stability.
The semi-classical approach leading to the Thomas-Fermi (TF) model provides a simple universal thermodynamic description of the electronic cloud surrounding the nucleus in an atom. This model is known to be exact at the limit of…
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…
A Thomas-Fermi-Weizsaecker type theory is constructed, by means of which we are able to give a relatively simple proof of the stability of relativistic matter. Our procedure has the advantage over previous ones in that the critical value of…
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 study {{\rm C}$_{60}$} with the use of Thomas-Fermi theory. A spherical shell model is invoked to treat the nuclear potential, where the nuclear and core charges are smeared out into a shell of constant surface charge density. The…
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 provide a priori error estimates for the spectral and pseudospectral Fourier (also called planewave) discretizations of the periodic Thomas-Fermi-von Weizs\"{a}cker (TFW) model and for the spectral discretization of the Kohn-Sham model,…