Theoretical description of hole localization in a quartz Al center: The importance of exact electron exchange

By Gianfranco Pacchioni, Fabiano Frigoli, D. Ricci, J. A. Weil. 2000

189 citations recorded by the source corpus.

Subfields: Ceramics and Composites, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/d8f180b04db679d4582471c66ef5defc888cf121

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In Materials Chemistry

1. Leeor Kronik
2. Stephan Kümmel
3. Lubos Mitas
4. J. Kolorenč
5. R. Beranek

Citations in the corpus

• Orbital-dependent density functionals: Theory and applications (2008, background): “Such a scenario arises naturally in studies of defects in solids Perdew and Zunger, 1981 , where, e.g., the LSDA fails to predict hole localization on an Al center in quartz Pacchioni et al., 2000; Lægsgaard and Stokbro, 2001 .”