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Title:

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

Author(s):
Kubas, Adam; Hoffmann, Felix; Heck, Alexander; Oberhofer, Harald; Elstner, Marcus; Blumberger, Jochen
Journal title:
J. Chem. Phys.
Year:
2014
Journal volume:
140
Journal issue:
10
Pages contribution:
104105
Fulltext / DOI:
doi:10.1063/1.4867077
Publisher:
AIP Publishing
Date of publication:
14.03.2014
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