Efficient linear-response method circumventing the exchange-correlation kernel: Theory for molecular conductance under finite bias

Journal of Chemical Physics

Volumn 123, Issue 20, 2005, Pages

  Neuhauser, Daniel ^a,b   Baer, Roi ^b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; EXCHANGE-CORRELATION; LINEAR RESPONSE OF MOLECULAR SYSTEMS; MOLECULAR JUNCTIONS;

CORRELATION METHODS; ELECTRIC CONDUCTANCE; ELECTRIC IMPEDANCE; ITERATIVE METHODS; MATHEMATICAL MODELS; PROBABILITY DENSITY FUNCTION;

MOLECULAR DYNAMICS;

EID: 28344435957     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2121607     Document Type: Article

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