title: Tightened Lieb-Oxford Bound for Systems of Fixed Particle Number.
abstract: The Lieb-Oxford bound is a constraint upon approximate exchange-correlation functionals. We explore a nonempirical tightening of that bound in both universal and electron number-dependent form. The test functional is PBE. Regarding both atomization energies (slightly worsened) and bond lengths (slightly improved), we find the PBE functional to be remarkably insensitive to the value of the Lieb-Oxford bound. This both rationalizes the use of the original Lieb-Oxford constant in PBE and suggests that enhancement factors more sensitive to sharpened constraints await discovery.
authors.affiliation: Departamento de Física e Informática, Instituto de Física de São Carlos, Universidade de São Paulo, Caixa Postal 369, São Carlos, 13560-970 SP, Brazil.|Quantum Theory Project, Departments of Physics and Chemistry, University of Florida, Gainesville, Florida 32611.
authors.forename: Mariana M
authors.initials: MM
authors.lastname: Odashima
authors.affiliation: Departamento de Física e Informática, Instituto de Física de São Carlos, Universidade de São Paulo, Caixa Postal 369, São Carlos, 13560-970 SP, Brazil.|Quantum Theory Project, Departments of Physics and Chemistry, University of Florida, Gainesville, Florida 32611.
authors.forename: K
authors.initials: K
authors.lastname: Capelle
authors.affiliation: Departamento de Física e Informática, Instituto de Física de São Carlos, Universidade de São Paulo, Caixa Postal 369, São Carlos, 13560-970 SP, Brazil.|Quantum Theory Project, Departments of Physics and Chemistry, University of Florida, Gainesville, Florida 32611.
authors.forename: S B
authors.initials: SB
authors.lastname: Trickey