Hyper-generalized-gradient functionals constructed from the Lieb-Oxford bound: Implementation via local hybrids and thermochemical assessment

Strictly correlated uniform electron droplets

(2011) E. Räsänen et al.   PHYSICAL REVIEW B

Systematic investigation of a family of gradient-dependent functionals for solids

(2010) Philipp Haas et al.   PHYSICAL REVIEW B

Variable Lieb–Oxford bound satisfaction in a generalized gradient exchange-correlation functional

(2009) A. Vela et al.   JOURNAL OF CHEMICAL PHYSICS

Tightened Lieb−Oxford Bound for Systems of Fixed Particle Number

(2009) Mariana M. Odashima et al.   Journal of Chemical Theory and Computation

Lower Bounds on the Exchange-Correlation Energy in Reduced Dimensions

(2009) E. Räsänen et al.   PHYSICAL REVIEW LETTERS

Workhorse Semilocal Density Functional for Condensed Matter Physics and Quantum Chemistry

(2009) John P. Perdew et al.   PHYSICAL REVIEW LETTERS

Empirical analysis of the Lieb-Oxford bound in ions and molecules

(2008) Mariana M. Odashima et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Construction of a generalized gradient approximation by restoring the density-gradient expansion and enforcing a tight Lieb–Oxford bound

(2008) Yan Zhao et al.   JOURNAL OF CHEMICAL PHYSICS

Hartree–Fock orbitals significantly improve the reaction barrier heights predicted by semilocal density functionals

(2008) Benjamin G. Janesko et al.   JOURNAL OF CHEMICAL PHYSICS

Density functional with full exact exchange, balanced nonlocality of correlation, and constraint satisfaction

(2008) John P. Perdew et al.   PHYSICAL REVIEW A

Exact-exchange energy density in the gauge of a semilocal density-functional approximation

(2008) Jianmin Tao et al.   PHYSICAL REVIEW A