Magnetic structure of bixbyiteα-Mn2O3: A combined DFT+Uand neutron diffraction study

First-principles DFT+U studies of the atomic, electronic, and magnetic structure of α-MnO2 (cryptomelane)

(2012) Eric Cockayne et al.   CHEMICAL PHYSICS LETTERS

Importance of anisotropic Coulomb interactions and exchange to the band gap and antiferromagnetism ofβ-MnO2from DFT+U

(2012) D. A. Tompsett et al.   PHYSICAL REVIEW B

Cluster expansion and the configurational theory of alloys

(2010) J. M. Sanchez   PHYSICAL REVIEW B

Building effective models from sparse but precise data: Application to an alloy cluster expansion model

(2010) Eric Cockayne et al.   PHYSICAL REVIEW B

Assessing the performance of recent density functionals for bulk solids

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

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

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