相关论文: Convergence of Levy-Lieb to Thomas-Fermi density f…

The importance of the Lieb-Simon proof of the relative exactness of Thomas-Fermi theory in the large-Z limit to modern density functional theory (DFT) is explored. The principle, that there is a specific semiclassical limit in which…

In a recent work, Bindini and De Pascale have introduced a regularization of $N$-particle symmetric probabilities which preserves their one-particle marginals. In this short note, we extend their construction to mixed quantum fermionic…

Potential functional approximations are an intriguing alternative to density functional approximations. The potential functional that is dual to the Lieb density functional is defined and properties given. The relationship between…

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 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.…

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…

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…

A generalization of the Density Functional Theory is proposed. The theory developed leads to single-particle equations of motion with a quasi-local mean-field operator, which contains a quasi-particle position-dependent effective mass and a…

In this paper, we introduce the Levy density function as the limit of a generalized Mittag-Leffler density function. The fractional integral equation for the generalized Mittag-Leffler density function is also given. And the role of the…

In this article we consider a large system of fermions in a combined mean-field and semiclassical limit, in three dimensions. We investigate the convergence of the Wigner function of the ground state, towards the classical Thomas-Fermi…

The semi-classical limit of ground states of large systems of fermions was studied by Fournais, Lewin and Solovej in (Calc. Var. Partial Differ. Equ., 2018). In particular, the authors prove weak convergence towards classical states…

This is a brief review of the Thomas-Fermi ("statistical" or "density functional") theory of atoms and molecules.

In the full quantum theory, the energy of a many-body quantum system with a given one-body density is described by the Levy-Lieb functional. It is exact, but very complicated to compute. For practical computations, it is useful to introduce…

We give the first mathematically rigorous justification of the Local Density Approximation in Density Functional Theory. We provide a quantitative estimate on the difference between the grand-canonical Levy-Lieb energy of a given density…

In 1975, Lieb and Thirring derived a semiclassical lower bound on the kinetic energy for fermions, which agrees with the Thomas-Fermi approximation up to a constant factor. Whenever the optimal constant in their bound coincides with the…

The constrained-search formulation of Levy and Lieb provides a concrete mapping from N-representable densities to the space of N-particle wavefunctions and explicitly defines the universal functional of density functional theory. We…

A novel Thomas-Fermi (TF) approach to inhomogeneous superfluid Fermi-systems is presented and shown that it works well also in cases where the Local Density Approximation (LDA) breaks down. The novelty lies in the fact that the…

In this chapter we first review the Levy-Lieb functional, which gives the lowest kinetic and interaction energy that can be reached with all possible quantum states having a given density. We discuss two possible convex generalizations of…

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…

We consider a family of non-local and non-convex functionals, and we prove that their Gamma-liminf is bounded from below by a positive multiple of the Sobolev norm or the total variation. As a by-product, we answer some open questions…