title: Electronic structure via potential functional approximations.
abstract: 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-Sham calculations.
authors.affiliation: Department of Chemistry, University of California, Irvine, California 92697-2025, USA.
authors.forename: Attila
authors.initials: A
authors.lastname: Cangi
authors.forename: Donghyung
authors.initials: D
authors.lastname: Lee
authors.forename: Peter
authors.initials: P
authors.lastname: Elliott
authors.forename: Kieron
authors.initials: K
authors.lastname: Burke
authors.forename: E K U
authors.initials: EK
authors.lastname: Gross