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Fundamental Gaps of Condensed-Phase Organic Semiconductors from Single-Molecule Calculations using Polarization-Consistent Optimally Tuned Screened Range-Separated Hybrid Functionals
Bhandari, Srijana, Cheung, Margaret S., Geva, Eitan, Kronik, Leeor, Dunietz, Barry D.Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.8b00876
Date:
November, 2018
File:
PDF, 2.21 MB
english, 2018