title: Strongly Constrained and Appropriately Normed Semilocal Density Functional.
abstract: The ground-state energy, electron density, and related properties of ordinary matter can be computed efficiently when the exchange-correlation energy as a functional of the density is approximated semilocally. We propose the first meta-generalized-gradient approximation (meta-GGA) that is fully constrained, obeying all 17 known exact constraints that a meta-GGA can. It is also exact or nearly exact for a set of "appropriate norms," including rare-gas atoms and nonbonded interactions. This strongly constrained and appropriately normed meta-GGA achieves remarkable accuracy for systems where the exact exchange-correlation hole is localized near its electron, and especially for lattice constants and weak interactions.
authors.affiliation: Department of Physics, Temple University, Philadelphia, Pennsylvania 19122, USA.
authors.forename: Jianwei
authors.initials: J
authors.lastname: Sun
authors.affiliation: Department of Physics, Temple University, Philadelphia, Pennsylvania 19122, USA.
authors.forename: Adrienn
authors.initials: A
authors.lastname: Ruzsinszky
authors.affiliation: Department of Physics, Temple University, Philadelphia, Pennsylvania 19122, USA.|Department of Chemistry, Temple University, Philadelphia, Pennsylvania 19122, USA.
authors.forename: John P
authors.initials: JP
authors.lastname: Perdew