Related papers: Thomas-Fermi approximation to electronic density
In heavy atoms and molecules, on the distances $a \ll Z^{-1/3}$ from one of the nuclei (with a charge $Z_m$) we prove that $\rho_\Psi (x)$ is approximated in $L^p$-norm, by the electronic density for a single atom in the model with no…
We derive an upper estimate for electronic density $\rho_\Psi (x)$ in heavy atoms and molecules. While not sharp, on the distances $\gtrsim Z^{-1}$ from the nuclei it is still better than the known estimate $CZ^3$ ($Z$ is the total charge…
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…
Starting from an independent-particle model with a finite and arbitrary set of single-particle energies, we develop an analytical approximation to the many-body level density $\rho_A(E)$ and to particle-hole densities. We use exact…
We analyze the range of validity of Thomas Fermi theory for describing charge density modulations induced by external potentials in neutral graphene. We compare exact results obtained from a tight-binding calculation with those of linear…
We proposed a formally exact, probabilistic method to assess the validity of the Thomas-Fermi potential for three-dimensional condensed matter systems where electron dynamics is constrained to the Fermi surface. Our method, which relies on…
The strong Scott conjecture about the electron density at a distance 1/Z from an atomic nucleus of charge $Z$ and its generalization for molecules are proved. The density, suitably scaled, converges to an explicit limiting density as $Z \to…
We consider a large neutral atom of atomic number $Z$, modeled by a pseudo-relativistic Hamiltonian of Chandrasekhar. We study its suitably rescaled one-particle ground state density on the Thomas--Fermi length scale $Z^{-1/3}$. Using an…
The self-consistent Thomas-Fermi approximation is an essential method for studying the non-uniform nuclear matter with relativistic mean-field theory. In this method, the nucleon distribution in the Wigner-Seitz cell is obtained…
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…
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…
The Thomas-Fermi approximation is a powerful method that has been widely used to describe atomic structures, finite nuclei, and nonuniform matter in supernovae and neutron-star crusts. Nonuniform nuclear matter at subnuclear density is…
We present a unified treatment of nuclear density cores recovering the classic results for neutral atoms with heavy nuclei having a mass number $A\approx 10^2--10^6$ and extrapolating these results to massive nuclear density cores with…
By extrapolating the energies of non-relativistic atoms and their ions with up to 3000 electrons within Kohn-Sham density functional theory, we find that the ionization potential remains finite and increases across a row, even as…
Uniform semiclassical approximations for the number and kinetic-energy densities are derived for many non-interacting fermions in one-dimensional potentials with two turning points. The resulting simple, closed-form expressions contain the…
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…
This is a brief review of the Thomas-Fermi ("statistical" or "density functional") theory of atoms and molecules.
Employing a local formula for the electron-electron interaction energy, we derive a self-consistent approximation for the total energy of a general $N$-electron system. Our scheme works as a local variant of the Thomas-Fermi approximation…
Different kinds of averaging of the wavefunctions/densities of the two-electron atomic systems are investigated. Using the Pekeris-like method, the ground state wave functions $\Psi$ of the helium-like atoms with nucleus charge $1\leq…