Choice of U for DFT+U Calculations for Titanium Oxides

By Zhenpeng Hu, Horia Metiu. 2011

303 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Catalysis, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/e99a694d4b1366e93ebb0506f841f7210baf2f0e