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Electronic couplings for molecular charge transfer: benchmarking CDFT, FODFT and FODFTB against high-level ab initio calculations. II

Corresponding authors
University College London, Department of Physics and Astronomy, Gower Street, London WC1E 6BT, UK
E-mail: j.blumberger@ucl.ac.uk
Institute of Physical Chemistry, Karlsruhe Institute of Technology, Fritz-Haber-Weg 6, 76131 Karlsruhe, Germany
HEiKA – Heidelberg Karlsruhe Research Partnership, Heidelberg University, Karlsruhe Institute of Technology (KIT), Germany
Department of Chemistry, Technical University of Munich, Lichtenbergstr. 4, 85747 Garching, Germany
Phys. Chem. Chem. Phys., 2015,17, 14342-14354

DOI: 10.1039/C4CP04749D
Received 18 Oct 2014, Accepted 16 Dec 2014
First published online 22 Dec 2014

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