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

The very old and successful density-functional technique of half-occupation is revisited [J. C. Slater, Adv. Quant. Chem. 6, 1 (1972)]. We use it together with the modern exchange-correlation approximations to calculate atomic ionization energies and band gaps in semiconductors [L. G. Ferreira et al... View More