title: Constrained density functional theory.
authors.affiliation: Department of Chemistry, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, USA.
authors.forename: Benjamin
authors.initials: B
authors.lastname: Kaduk
authors.forename: Tim
authors.initials: T
authors.lastname: Kowalczyk
authors.forename: Troy
authors.initials: T
authors.lastname: Van Voorhis