相关论文: Empirical analysis of the Lieb-Oxford bound in ion…
Density-functional theory requires ever better exchange-correlation (xc) functionals for the ever more precise description of many-body effects on electronic structure. Universal constraints on the xc energy are important ingredients in the…
The Lieb-Oxford bound, a nontrivial inequality for the indirect part of the many-body Coulomb repulsion in an electronic system, plays an important role in the construction of approximations in density functional theory. Using the…
The Lieb-Oxford bound is a constraint upon approximate exchange-correlation functionals. We explore a non-empirical tightening of that bound in both universal and electron-number-dependent form. The test functional is PBE. Regarding both…
Lieb and Oxford (1981) derived rigorous lower bounds, in the form of local functionals of the electron density, on the indirect part of the Coulomb repulsion energy. The greatest lower bound for a given electron number N depends…
We study the energetic properties of finite but internally homogeneous D-dimensional electron droplets in the strict-correlation limit. The indirect Coulomb interaction is found to increase as a function of the electron number, approaching…
We investigate and prove Lieb-Oxford bounds in one dimension by studying convex potentials that approximate the ill-defined Coulomb potential. A Lieb-Oxford inequality establishes a bound of the indirect interaction energy for electrons in…
Lewin and Lieb have recently proven several new bounds on the exchange-correlation energy that complement the Lieb-Oxford bound. We test these bounds for atoms, for slowly-varying gases, and for Hooke's atom, finding them usually less…
The Lieb-Oxford inequality provides a lower bound on the Coulomb energy of a classical system of $N$ identical charges only in terms of their one-particle density. We prove here a new estimate on the best constant in this inequality.…
In the framework of density-functional theory, several popular density functionals for exchange and correlation have been constructed to satisfy a local form of the Lieb-Oxford bound. In its original global expression, the bound represents…
We prove a new lower bound on the indirect Coulomb energy in quantum mechanics in terms of the single particle density of the system. The new universal lower bound is an alternative to the classical Lieb--Oxford bound (with a smaller…
We prove a Lieb-Oxford-type inequality on the indirect part of the Coulomb energy of a general many-particle quantum state, with a lower constant than the original statement but involving an additional gradient correction. The result is…
We study numerically the strong-interaction limit of the exchange-correlation functional for neutral atoms and for Bohr atoms as the number of electrons increases. Using a compact representation, we analyse the second-order gradient…
We propose a simple gradient-dependent bound for the exchange-correlation energy (sLL), based on the recent non-local bound derived by Lewin and Lieb. We show that sLL is equivalent to the original Lieb-Oxford bound in rapidly-varying…
Bounds on the exchange-correlation energy of many-electron systems are derived and tested. By using universal scaling properties of the electron-electron interaction, we obtain the exponent of the bounds in three, two, one, and quasi-one…
The effect of long-ranged Coulomb interaction on the low energy properties (momentum distribution function, density of states, electron spectral function, and $4k_F$ correlation function) of one-dimensional electron systems is determined…
A simple and completely general representation of the exact exchange-correlation functional of density-functional theory is derived from the universal Lieb-Oxford bound, which holds for any Coulomb-interacting system. This representation…
The Coulomb exchange and correlation energy density functionals for electron systems are applied to nuclear systems. It is found that the exchange functionals in the generalized gradient approximation provide agreements with the exact-Fock…
We discuss energy densities in the strong-interaction limit of density functional theory, deriving an exact expression within the definition (gauge) of the electrostatic potential of the exchange-correlation hole. Exact results for small…
The proof of the existence of the thermodynamic limit for electrons and nuclei interacting via the Coulomb potential, in the framework of non-relativistic quantum mechanics, was accomplished decades ago. This result did not take account of…
We state and prove four types of Lieb-Robinson bounds valid for many-body open quantum systems with power law decaying interactions undergoing out of equilibrium dynamics. We also provide an introductory and self-contained discussion of the…