We prove a generalization of the van Leeuwen theorem towards quantum electrodynamics, providing the formal foundations of a time-dependent Kohn-Sham construction for coupled quantized matter and electromagnetic fields. We circumvent the symmetry-causality problems associated with the action-functional approach to Kohn-Sham systems. We show that the effective external fourpotential and four-curr...

We use the exact strong-interaction limit of the Hohenberg-Kohn energy density functional to approximate the exchange-correlation energy of the restricted Kohn-Sham scheme. Our approximation corresponds to a highly nonlocal density functional whose functional derivative can be easily constructed, thus transforming exactly, in a physically transparent way, an important part of the electron-elect...

The exchange-correlation energy in Kohn-Sham density functional theory is expressed as a functional of the electronic density and the Kohn-Sham orbitals. An alternative to Kohn-Sham theory is to express the energy as a functional of the reduced first-order density matrix or equivalently the natural orbitals. We present an approximate, simple, and parameter-free functional of the natural orbital...

Comment pensent les forêts. Vers une anthropologie au-delà de l’humain d’Eduardo Kohn / Eduardo KOHN, l’humain, trad. l’anglais (É.-U.) par Grégory Delaplace, Bruxelles, Zones sensibles, 2017 [2013]. Un article la revue Cygne noir (Sémiotique et écologie) diffusée plateforme Érudit.

Abstract The construction of a better exchange-correlation potential in time-dependent density functional theory (TDDFT) can improve the accuracy TDDFT calculations and provide more accurate predictions properties many-electron systems. Here, we propose machine learning method to develop energy Kohn-Sham system is proposed. based on dynamics does not require any data exact for training model. W...

The universal functional of Hohenberg-Kohn is given as a coupling-constant integral over the density as a functional of the potential. Conditions are derived under which potential-functional approximations are variational. Construction via this method and imposition of these conditions are shown to greatly improve the accuracy of the noninteracting kinetic energy needed for orbital-free Kohn-Sh...

X iv :p hy si cs /0 40 70 95 v 1 1 9 Ju l 2 00 4 Construction of accurate Kohn-Sham potentials for the lowest states of the helium atom: Accurate test of the ionization-potential theorem I. Lindgren, S. Salomonson, and F. Möller Department of Physics, Chalmers University of Technology and the Göteborg University, Göteborg, Sweden Accurate local Kohn-Sham potentials have been constructed for the...

Kohn-Sham density functional theory is one of the most widely used electronic structure theories. Uniform discretization of the Kohn-Sham Hamiltonian generally results in a large number of basis functions per atom in order to resolve the rapid oscillations of the Kohn-Sham orbitals around the nuclei. Previous attempts to reduce the number of basis functions per atom include the usage of atomic ...