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A self-interaction-free local hybrid functional: Accurate binding energies vis-à-vis accurate ionization potentials from Kohn-Sham eigenvalues
Schmidt, Tobias, Kraisler, Eli, Makmal, Adi, Kronik, Leeor, Kümmel, StephanVolume:
140
Langue:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.4865942
Date:
May, 2014
Fichier:
PDF, 654 KB
english, 2014