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  1. 1 Acta Physica Polonica A

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  1. 1 1993

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  1. 1 Szpunar B.

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Magnetism Within the Limitations of the LDA Band Structure Calculations

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Szpunar B.
Acta Physica Polonica A
|
1993
|
vol. 84
|
issue 1
21-42
EN
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: C_{60}-FCC and YBa_{2}Cu_{3}O_{6}. We also compare the results for parent CaCuO_{2} and NiO systems, as well as discuss the role of gradient and self-energy (GW) corrections for the Mott insulators.
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