Improved Electronic Excitation Energies from Shape-Corrected Semilocal Kohn-Sham Potentials

The generalized SIC-OEP formalism and the generalized SIC-Slater approximation (stationary and time-dependent cases)

(2011) J. Messud et al.   ANNALEN DER PHYSIK

Challenges for Density Functional Theory

(2011) Aron J. Cohen et al.   CHEMICAL REVIEWS

Prediction of the Derivative Discontinuity in Density Functional Theory from an Electrostatic Description of the Exchange and Correlation Potential

(2011) Xavier Andrade et al.   PHYSICAL REVIEW LETTERS

Slater half-occupation technique revisited: the LDA-1/2 and GGA-1/2 approaches for atomic ionization energies and band gaps in semiconductors

(2011) Luiz G. Ferreira et al.   AIP Advances

Toward an All-Around Semilocal Potential for Electronic Exchange

(2010) Micael J. T. Oliveira et al.   Journal of Chemical Theory and Computation

Fractional charge perspective on the band gap in density-functional theory

(2008) Aron J. Cohen et al.   PHYSICAL REVIEW B

Approximation to density functional theory for the calculation of band gaps of semiconductors

(2008) Luiz G. Ferreira et al.   PHYSICAL REVIEW B

Localization and Delocalization Errors in Density Functional Theory and Implications for Band-Gap Prediction

(2008) Paula Mori-Sánchez et al.   PHYSICAL REVIEW LETTERS