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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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