Related papers: Empirical analysis of the Lieb-Oxford bound in ion…
An explicitly orbital-dependent correlation energy functional is proposed, which is to be used in combination with the orbital-dependent exchange energy functional in energy-band calculations. It bears a close resemblance to the…
Structural and thermodynamic properties of ionic fluids are related to those of a simpler ``mimic'' system with short ranged intermolecular interactions in a spatially varying effective field by use of Local Molecular Field (LMF) theory,…
The lattice fluid model of the system with short range and long range Coulomb interactions is suggested. In the framework of the collective variables method, the screening of the Coulomb interactions in the bulk is considered. It is shown…
We introduce a new paradigm for finite and infinite strict-one-dimensional uniform electron gases. In this model, $n$ electrons are confined to a ring and interact via a bare Coulomb operator. In the high-density limit (small-$r_s$, where…
We study the properties of the lower bound on the exchange-correlation energy in two dimensions. First we review the derivation of the bound and show how it can be written in a simple density-functional form. This form allows an explicit…
Properties of the "electron gas" - in which conduction electrons interact by means of Coulomb forces but ionic potentials are neglected - change dramatically depending on the balance between kinetic energy and Coulomb repulsion. The limits…
Coulomb interactions that occur in electronic structure calculations are correlated by allowing basis function components of the interacting densities to polarize, thereby reducing the magnitude of the interaction. Exchange integrals of…
We prove a new lower bound on the indirect Coulomb energy in two dimensional quantum mechanics in terms of the single particle density of the system. The new universal lower bound is an alternative to the Lieb--Solovej--Yngvason bound with…
We prove a rigorous lower bound on the correlation energy of interacting fermions in the mean-field regime for a wide class of singular interactions, including the Coulomb potential. Combined with the upper bound obtained in…
We test the Coulomb exchange and correlation energy density functionals of electron systems for atomic nuclei in the local density approximation (LDA) and the generalized gradient approximation (GGA). For the exchange Coulomb energies, it…
We analyze a decomposition of the Coulomb electron-electron interaction into a long-range and a short-range part in the framework of density functional theory, deriving some scaling relations and the corresponding virial theorem. We study…
We discuss the properties of interacting electrons on a finite chain with open boundary conditions. We extend the Haldane Luttinger liquid description to these systems and study how the presence of the boundaries modifies various…
We study systems of three bosons bound by a long-range interaction supplemented by a short-range potential of variable strength. This generalizes the usual two-body exotic atoms where the Coulomb interaction is modified by nuclear forces at…
The unique property of Coulomb interaction in strict one-dimensional (1D) system is revealed that the Coulomb repulsion energy of paired electrons is divergent. As consequences, electrons in 1D system can not doubly occupy the same spatial…
We study the structure of bound states appearing in systems governed by the Coulomb and short-range interactions. We analyze the binding energies and wave functions of the bound states generated by the Coulomb plus short-range potential. We…
Approximations to the exact density functional for the exchange-correlation energy of a many-electron ground state can be constructed by satisfying constraints that are universal, i.e., valid for all electron densities. Gedanken densities…
By splitting the Coulomb interaction into long-range and short-range components, we decompose the energy of a quantum electronic system into long-range and short-range contributions. We show that the long-range part of the energy can be…
We formulate a three-dimensional semi-classical model to address triple and double ionization in three-electron atoms driven by intense infrared laser pulses. During time propagation, our model fully accounts for the Coulomb singularities,…
This article is dedicated to Elliott Lieb in celebration of his 90th birthday. I recount briefly some history of our joint work on the existence of the thermodynamic limit for Coulomb systems and discuss, even more briefly, two open…
Coulomb interaction between electrons on p-orbitals of oxygen atom in strongly correlated compounds is not negligible, since its value (U_p) has comparable order of magnitude with the value of Coulomb interaction on d-orbitals of transition…