Related papers: Nonexistence in Thomas-Fermi-Dirac-von Weizs\"acke…
We show that the molecular relativistic Thomas-Fermi-Weizs\"acker functional consisting of atoms of atomic numbers $Z_1,...,Z_k$ has a minimizer, if the particle number $N$ is constrained to a number less or equal to the total nuclear…
We prove that in Thomas-Fermi-Dirac-von Weizs\"acker theory, a nucleus of charge $Z>0$ can bind at most $Z+C$ electrons, where $C$ is a universal constant. This result is obtained through a comparison with Thomas-Fermi theory which, as a…
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…
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…
The focus of our paper is to investigate the possibility of a minimizer for the Thomas-Fermi-Dirac-von Weizs\"{a}cker model on the lattice graph $\mathbb{Z}^{3}$. The model is described by the following functional: \begin{equation*}…
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…
We consider the minimizing problem for the energy functional with prescribed mass constraint related to the fractional nonlinear Schr\"odinger equation with periodic potentials. Using the concentration-compactness principle, we show a…
In this note we establish the existence of ground states for atoms within several restricted Hartree-Fock theories. It is shown, for example, that there exists a ground state for closed shell atoms with $N$ electrons and nuclear charge $Z…
We consider the nonexistence of minimizers for the energy containing a nonlocal perimeter with a general kernel $K$, a Riesz potential, and a background potential in $\mathbb{R}^N$ with $N\geq2$ under the volume constraint. We show that the…
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 consider the Thomas--Fermi--Dirac--von~Weizs{\"a}cker model for a system composed of infinitely many nuclei placed on a periodic lattice and electrons with a periodic density. We prove that if the Dirac constant is small enough, the…
The Bogoliubov-Dirac-Fock (BDF) model is the mean-field approximation of no-photon Quantum Electrodynamics. The present paper is devoted to the study of the minimization of the BDF energy functional under a charge constraint. An associated…
This paper provides a variational treatment of the effect of external charges on the free charges in an infinite free-standing graphene sheet within the Thomas-Fermi theory. We establish existence, uniqueness and regularity of the energy…
The purpose of this note is to give an elementary derivation of a lower bound on the relativistic Thomas-Fermi-Weizs\"acker-Dirac functional of Thomas-Fermi type and to apply it to get an upper bound on the excess charge of this model.
We study an isoperimetric problem the energy of which contains the perimeter of a set, Coulomb repulsion of the set with itself, and attraction of the set to a background nucleus as a point charge with charge $Z$. For the variational…
We revisit the liquid drop model with a general Riesz potential. Our new result is the existence of minimizers for the conjectured optimal range of parameters. We also prove a conditional uniqueness of minimizers and a nonexistence result…
We establish a pointwise stability estimate for the Thomas-Fermi-von Weizs\"acker (TFW) model, which demonstrates that a local perturbation of a nuclear arrangement results also in a local response in the electron density and electrostatic…
We consider a large atom with nuclear charge $Z$ described by non-relativistic quantum mechanics with classical or quantized electromagnetic field. We prove that the absolute ground state energy, allowing for minimizing over all possible…
We investigate a semiclassical momentum density energy functional for atoms and show that it yields the same value as the well-known Thomas-Fermi functional. In fact, we show an explicit relation between the minimizers of the two…
We demonstrate that the Weizs\"acker potential is an exact term in the universal functional in density functional theory (DFT) for the ground state of a system with $N$ electrons. This proof uses no approximations or physical arguments, and…