Electronic structure of ZrSxSe2−xby Tran-Blaha modified Becke-Johnson density functional

Construction of integrable model Kohn-Sham potentials by analysis of the structure of functional derivatives

(2011) Alex P. Gaiduk et al.   PHYSICAL REVIEW A

Electrical Transport and High-Performance Photoconductivity in Individual ZrS2 Nanobelts

(2010) Liang Li et al.   ADVANCED MATERIALS

Becke-Johnson-type exchange potential for two-dimensional systems

(2010) S. Pittalis et al.   PHYSICAL REVIEW B

Half-Heusler topological insulators: A first-principles study with the Tran-Blaha modified Becke-Johnson density functional

(2010) Wanxiang Feng et al.   PHYSICAL REVIEW B

Doping-dependent thermopower of PbTe from Boltzmann transport calculations

(2010) David J. Singh   PHYSICAL REVIEW B

Electronic structure calculations with the Tran-Blaha modified Becke-Johnson density functional

(2010) David J. Singh   PHYSICAL REVIEW B

Efficient Band Gap Prediction for Solids

(2010) M. K. Y. Chan et al.   PHYSICAL REVIEW LETTERS

Growth and band gap determination of theZrSxSe2−xsingle crystal series

(2009) Mohamed Moustafa et al.   PHYSICAL REVIEW B

Erratum: Calculation of the lattice constant of solids with semilocal functionals [Phys. Rev. B79, 085104 (2009)]

(2009) Philipp Haas et al.   PHYSICAL REVIEW B

Calculation of the lattice constant of solids with semilocal functionals

(2009) Philipp Haas et al.   PHYSICAL REVIEW B

Assessing the performance of recent density functionals for bulk solids

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

Insight into the performance of GGA functionals for solid-state calculations

(2009) Philipp Haas et al.   PHYSICAL REVIEW B

Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS

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