This is a comprehensive review of the strong-interaction limit of density functional theory. It
covers the derivation of the limiting strictly correlated electrons (SCE) functional from exact …

We prove rigorously that the exact N-electron Hohenberg–Kohn density functional
converges in the strongly interacting limit to the strictly correlated electrons (SCE) functional …

Density functional theory (DFT) provides the most widely used models for simulating
molecules and materials based on the fundamental laws of quantum mechanics. It earned …

This chapter intends to present the state of art and recent developments of the optimal
transportation theory with many marginals for a class of repulsive cost functions. We …

An implementation of the Interacting Quantum Atoms method for crystals is presented. It
provides a real space energy decomposition of the energy of crystals in which all energy …

In this work, we construct a novel numerical method for solving the multimarginal optimal
transport problems with Coulomb cost. This type of optimal transport problem arises in …

Exact pieces of information on the adiabatic connection integrand, W λ [ρ], which allows
evaluation of the exchange-correlation energy of Kohn–Sham density functional theory, can …

A stochastic minimization method for a real-space wave function, Ψ (r 1, r 2... rn),
constrained to a chosen density, ρ (r), is developed. It enables the explicit calculation of the …

In this article, we study Wasserstein-type metrics and corresponding barycenters for mixtures
of a chosen subset of probability measures called atoms hereafter. In particular, this works …

Given a wave-function minimizing the Levy–Lieb functional, the intent of this short note is to
give an estimate of the probability of the particles being in positions ( x 1 , … , x N ) \documentclass[12pt]{minimal} …