Benchmarking the performance of density functional theory based Green's function formalism utilizing different self-energy models in calculating electronic transmission through molecular systems

Journal of Chemical Physics

Volumn 125, Issue 20, 2006, Pages

  Prociuk, Alexander ^a   Van Kuiken, Ben ^a   Dunietz, Barry D ^a  

^a UNIVERSITY OF MICHIGAN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BENCHMARKING; ELECTRON TRANSPORT PROPERTIES; ELECTRONIC STRUCTURE; GREEN'S FUNCTION; MATHEMATICAL MODELS; PROBABILITY DENSITY FUNCTION;

ELECTRONIC TRANSMISSION; MOLECULAR SYSTEMS; SELF-ENERGY MODELS;

MOLECULAR DYNAMICS;

EID: 33845203190     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2397676     Document Type: Article

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