相关论文: Periodicity of atomic structure in a Thomas-Fermi …
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 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 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 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 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 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…
Forty-five years after the point de d\'epart [1] of density functional theory, its applications in chemistry and the study of electronic structures keep steadily growing. However, the precise form of the energy functional in terms of the…
The Thomas-Fermi (TF) approximation for the static dielectric constant of a three-dimensional electron liquid can be derived from minimizing the TF local-density approximation for the kinetic-energy functional. Here we show that this…
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…
We study continuity and H\"older continuity of $t\mapsto P_tf$, where $P_t$ is a generalized Mehler semigroup in $C_b(X)$, the space of the continuous and bounded functions from a Banach space $X$ to $R$, and $f\in C_b(X)$. The generators…
Discovery of material properties at extremes, which are essential for high energy density physics development, requires the most advanced experimental facilities, theories, and computations. Nowadays it is possible to model properties of…
We present a modified Thomas-Fermi theory that describes the increase of the hyperfine coupling constants of endohedrally enclosed atoms. We use the March boundary conditions corresponding to a positively charged spherical shell surrounding…
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…
Static and dynamical aspects of nuclear systems are described through an extended time-dependent mean-field approach. The foundations of the formalism are presented, with highlights on the estimation of average values and their…
This is a brief review of the Thomas-Fermi ("statistical" or "density functional") theory of atoms and molecules.
The nuclear energy density functional method at finite temperature is a useful tool for studies of nuclear structure at high excitation, and also for researches of nuclear matter involved in explosive stellar phenomena and neutron stars.…
We argue that the success of DFT can be understood in terms of a semiclassical expansion around a very specific limit. This limit was identified long ago by Lieb and Simon for the total electronic energy of a system. This is a universal…
Approximations to the many-fermion free energy density functional that include the Thomas-Fermi (TF) form for the non-interacting part lead to singular densities for singular external potentials (e.g. attractive Coulomb). This limitation of…
A recently introduced analytical model for the nuclear density profile[1] is implemented in the Extended Thomas-Fermi (ETF) energy density functional. This allows to (i) shed a new light on the issue of the sign of surface symmetry energy…
We demonstrate that the charge distributions in Hubbard-model representations of transition metal oxide heterojucntions can be described by a Thomas-Fermi theory in which the energy is approximated as the sum of the electrostatic energy and…