相关论文: A Statistical Theory of Heavy Atoms: Energy and Ex…
We bound the number of electrons $Q$ that an atom can bind in excess of neutrality for density functionals generalizing the classical Thomas-Fermi-Weizs\"acker functional: instead of the classical power $5/3$ more general powers $p$ are…
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 prove an analytic bound on the excess charge for the Hartree equation in the atomic case.
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.
We will give a proof that the maximal excess charge for an atom described by a family of density-matrix-functionals, which includes Hartree-Fock and M\"uller theories, is bounded by an universal constant. We will use the new technique…
A relativistic version of the effective charge model for computation of observable characteristics of multi-electron atoms and ions is developed. A complete and orthogonal Dirac hydrogen basis set, depending on one parameter -- effective…
This is a brief review of the Thomas-Fermi ("statistical" or "density functional") theory of atoms and molecules.
The recently developed semiclassical variational Wigner-Kirkwood (VWK) approach is applied to finite nuclei using external potentials and self-consistent mean fields derived from Skyrme interactions and from relativistic mean field theory.…
We prove an upper bound on the excess charge for non-relativistic atomic systems, independent of the particle statistics. This result improves Lieb's bound of 1984 for any $Z \ge 12$.
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…
This paper establishes new bounds on the maximum number of electrons $ N_c(Z) $ that an atom with nuclear charge $Z$ can bind. Specifically, we show that \begin{equation*} N_c(Z) < 1.1185Z + O(Z^{1/3}) \end{equation*} with an explicit bound…
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…
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…
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…
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…
Recently, we have proposed the existence of a universal relation between the maximal electric charge and total mass of any weakly self-gravitating object: $Z\leq Z^*={\alpha}^{-1/3}A^{2/3}$, where $Z$ is the number of protons, $A$ is the…
We prove within the Hartree-Fock theory of pseudo-relativistic atoms that the maximal negative ionization charge and the ionization energy of an atom remain bounded independently of the nuclear charge Z and the fine structure constant…
Upper and lower bounds are derived for the ground-state energy of neutral atoms which for $Z\to\infty$ both involve the limits of exact Green's functions with one-body potentials. The limits of both bounds are shown to coincide with the…
The magnetic extension of the Thomas-Fermi-Weizs\"acker kinetic energy is used within density-functional-theory to numerically obtain the ground state densities and energies of two-dimensional quantum dots. The results are thoroughly…
We consider an atom described by M\"uller theory, which is similar to Hartree-Fock theory, but with a modified exchange term. We prove that a nucleus of charge Z can bind at most Z+C electrons, where C is a universal constant. Our proof…