Role of the exchange-correlation potential in ab initio electron transport calculations

Journal of Chemical Physics

Volumn 126, Issue 20, 2007, Pages

  Ke, San Huang ^a   Baranger, Harold U ^a   Yang, Weitao ^a  

^a DUKE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC CHAIN SYSTEMS; ELECTRON TRANSMISSION; ENERGY FUNCTIONALS; QUANTUM TRANSPORT;

CARRIER CONCENTRATION; CHARGE TRANSFER; ENERGY GAP; OPTIMIZATION; PERTURBATION TECHNIQUES; QUANTUM THEORY;

ELECTRON TRANSPORT PROPERTIES;

EID: 34249911200     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2743004     Document Type: Article

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