Ground-state properties of multivalent manganese oxides: Density functional and hybrid density functional calculations

By C. Franchini, R. Podloucky, Joachim A. Paier, Martijn Marsman, Georg Kresse. 2007

276 citations recorded by the source corpus.

Subfields: Condensed Matter Physics, Electronic, Optical and Magnetic Materials

View Paper: https://www.semanticscholar.org/paper/904fb8caeb307647595af7eada158b3327ef4037

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In Electronic, Optical and Magnetic Materials

1. Luis A. Agapito
2. Marco Buongiorno Nardelli
3. Stefano Curtarolo

Citations in the corpus

• Reformulation of DFT + U as a pseudohybrid hubbard density functional for accelerated materials discovery (2015, background): “0 eV (albeit with no correction on oxygen) has been reported to reproduce well the experimental energy of formations of several manganese oxides [101,102].”