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Intricacies of DFT+U, not only in a Numeric Atom Centered Orbital Framework
Kick, Matthias, Reuter, Karsten, Oberhofer, HaraldJournal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.8b01211
Date:
February, 2019
File:
PDF, 6.67 MB
2019