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The electron affinity as the highest occupied anion orbital energy with a sufficiently accurate approximation of the exact Kohn-Sham potential
Amati, Mario, Stoia, Sonia, Baerends, Evert JanJournal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.9b00981
Date:
December, 2019
File:
PDF, 576 KB
2019