Abstract

We discuss the limitations of the local density approximation for high- -temperature superconductors and related to them parent antiferromagnetic insulators. The calculated band-gap accuracy is pointed out for two cases: C60-FCC and YBa2Cu3O6. We also compare the results for parent CaCuO2 and NiO systems, as well as discuss the role of gradient and self-energy (GW) corrections for the Mott insulators.

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