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Communication: CDFT-CI couplings can be unreliable when there is fractional charge transfer
Mavros, Michael G., Van Voorhis, TroyVolume:
143
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.4938103
Date:
December, 2015
File:
PDF, 596 KB
english, 2015