title: Guaranteed convergence of the Kohn-Sham equations.
abstract: A sufficiently damped iteration of the Kohn-Sham (KS) equations with the exact functional is proven to always converge to the true ground-state density, regardless of the initial density or the strength of electron correlation, for finite Coulomb systems. We numerically implement the exact functional for one-dimensional continuum systems and demonstrate convergence of the damped KS algorithm. More strongly correlated systems converge more slowly.
authors.affiliation: Department of Physics and Astronomy, University of California, Irvine, California 92697, USA and Department of Chemistry, University of California, Irvine, California 92697, USA.
authors.forename: Lucas O
authors.initials: LO
authors.lastname: Wagner
authors.forename: E M
authors.initials: EM
authors.lastname: Stoudenmire
authors.forename: Kieron
authors.initials: K
authors.lastname: Burke
authors.forename: Steven R
authors.initials: SR
authors.lastname: White