Improving atomization energies of molecules and solids with a spin-dependent gradient correction from one-electron density analysis

Two-Dimensional Scan of the Performance of Generalized Gradient Approximations with Perdew–Burke–Ernzerhof-Like Enhancement Factor

(2011) E. Fabiano et al.   Journal of Chemical Theory and Computation

Generalized Gradient Approximation That Recovers the Second-Order Density-Gradient Expansion with Optimized Across-the-Board Performance

(2011) Roberto Peverati et al.   Journal of Physical Chemistry Letters

Correlation energy functional from jellium surface analysis

(2011) Lucian A. Constantin et al.   PHYSICAL REVIEW B

Self-consistent meta-generalized gradient approximation within the projector-augmented-wave method

(2011) Jianwei Sun et al.   PHYSICAL REVIEW B

Semiclassical Neutral Atom as a Reference System in Density Functional Theory

(2011) Lucian A. Constantin et al.   PHYSICAL REVIEW LETTERS

Erratum: Workhorse Semilocal Density Functional for Condensed Matter Physics and Quantum Chemistry [Phys. Rev. Lett.103, 026403 (2009)]

(2011) John P. Perdew et al.   PHYSICAL REVIEW LETTERS

Generalized gradient approximation bridging the rapidly and slowly varying density regimes: A PBE-like functional for hybrid interfaces

(2010) Eduardo Fabiano et al.   PHYSICAL REVIEW B

Toward improved density functionals for the correlation energy

(2009) Ajit J. Thakkar et al.   JOURNAL OF CHEMICAL PHYSICS

A new all-round density functional based on spin states and S[sub N]2 barriers

(2009) Marcel Swart et al.   JOURNAL OF CHEMICAL PHYSICS

Conformational Stability and Spin States of Cobalt(II) Acetylacetonate: CASPT2 and DFT Study

(2009) Mariusz Radoń et al.   Journal of Chemical Theory and Computation

Regularized Gradient Expansion for Atoms, Molecules, and Solids

(2009) Adrienn Ruzsinszky et al.   Journal of Chemical Theory and Computation

Exchange-correlation hole of a generalized gradient approximation for solids and surfaces

(2009) Lucian A. Constantin et al.   PHYSICAL REVIEW B

Implementing and testing the AM05 spin density functional

(2009) Ann E. Mattsson et al.   PHYSICAL REVIEW B

Assessing the performance of recent density functionals for bulk solids

(2009) Gábor I. Csonka et al.   PHYSICAL REVIEW B

Workhorse Semilocal Density Functional for Condensed Matter Physics and Quantum Chemistry

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

Erratum: Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces [Phys. Rev. Lett.100, 136406 (2008)]

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

Increasing physical constraints and improving performances in a parameter-free GGA functional

(2008) Vincent Tognetti et al.   CHEMICAL PHYSICS LETTERS

Semiclassical Origins of Density Functionals

(2008) Peter Elliott et al.   PHYSICAL REVIEW LETTERS

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

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