Avoiding self-repulsion in density functional description of biased molecular junctions

Chemical Physics

Volumn 329, Issue 1-3, 2006, Pages 266-275

  Baer, Roi ^a   Livshits, Ester ^a   Neuhauser, Daniel ^a  

^a HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

Density functional theory; Electron correlation; Molecular electronics

Indexed keywords

EID: 33749528503     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2006.06.041     Document Type: Article

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