Related papers: The Atomic Density on the Thomas--Fermi Length Sca…

We consider heavy neutral atoms of atomic number $Z$ modeled with kinetic energy $(c^2p^2+c^4)^{1/2}-c^2$ used already by Chandrasekhar. We study the behavior of the one-particle ground state density on the length scale $Z^{-1}$ in the…

We consider a large neutral atom of atomic number $Z$, taking relativistic effects into account by assuming the dispersion relation $\sqrt{c^2p^2+c^4}$. We study the behavior of the one-particle ground state density on the length scale…

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 energy spectra of atomic ions are re-examined from the point of view of Thomas-Fermi scaling relations. For the first ionization potential, which sets the energy scale for the true discrete spectrum, Thomas-Fermi theory predicts the…

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 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…

In this paper we study the large-Z behaviour of the ground state energy of atoms with electrons having relativistic kinetic energy sqrt(p^2c^2+m^2c^4)-mc^2. We prove that to leading order in Z the energy is the same as in the…

In heavy atoms and molecules, on the distances $a \gg Z^{-1}$ from all of the nuclei (with a charge $Z_m$) we prove that $\rho_\Psi (x)$ is approximated in $L^p$-norm, by the Thomas-Fermi density.

In this short note we argue that Thomas-Fermi Theory the simplest of all density functional theories, although failing to explain features such as binding or stability of negative ions, is surprisingly accurate in estimating sizes of atoms.…

In order to characterize the mass density of superheavy elements, we solve numerically the relativistic Thomas-Fermi model of an atom. To obtain a range of mass densities for superheavy matter, this model is supplemented with an estimation…

We study the non-uniform nuclear matter using the self-consistent Thomas--Fermi approximation with a relativistic mean-field model. The non-uniform matter is assumed to be composed of a lattice of heavy nuclei surrounded by dripped…

We consider a Thomas-Fermi mean-field model for large neutral atoms. That is, Schr\"odinger operators $H_Z^{\text{TF}}=-\Delta-\Phi_Z^{\text{TF}}$ in three-dimensional space, where $Z$ is the nuclear charge of the atom and…

A new reference state for density functional theory, termed the independent atom ansatz, is introduced in this work. This ansatz allows for the exact representation of electron density in terms of non-interacting, atom-localized orbitals.…

The purpose of this paper is to derive sharp asymptotics of the ground state energy for the heavy atoms and molecules in the relativistic settings, and, in particular, to derive relativistic Scott correction term and also Dirac, Schwinger…

We study atoms with N electrons, and nuclear charge Z. It is well known that the cationic regime, Z > N is qualitatively described by Thomas-Fermi theory. The anionic regime, Z < N, on the other hand, is characterized by an instability…

We prove an optimal upper bound for the density of electrons of an infinite Bohr atom (no electron-electron interactions) described by the relativistic operators of Chandrasekhar and Dirac. We also consider densities in each angular…

We prove that the ground state energy of an atom confined to two dimensions with an infinitely heavy nucleus of charge $Z>0$ and $N$ quantum electrons of charge -1 is $E(N,Z)=-{1/2}Z^2\ln Z+(E^{\TF}(\lambda)+{1/2}c^{\rm H})Z^2+o(Z^2)$ when…

The density of an atom in a state of well-defined angular momentum has a specific finite spherical harmonic content, without and with interactions. Approximate single-particle schemes, such as the Hartree, Hartree-Fock, and Local Density…

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…

A new formula that relates the electron density at the nucleus of atoms,rho(0,Z), and the atomic number,Z, is proposed. This formula,rho(0,Z)=a(Z-bZ^(0.5))^3, contains two unknown parameters (a,b) that are derived using a least square…