Molecular conduction: Do time-dependent simulations tell you more than the Landauer approach?

Journal of Chemical Physics

Volumn 124, Issue 21, 2006, Pages

  Sánchez, Cristián G ^a   Stamenova, Maria ^b   Sanvito, Stefano ^b   Bowler, D R ^c   Horsfield, Andrew P ^c   Todorov, Tchavdar N ^d  

^a UNIVERSIDAD NACIONAL DE CÓRDOBA   (Argentina)

^b TRINITY COLLEGE DUBLIN   (Ireland)

^c UNIVERSITY COLLEGE LONDON   (United Kingdom)

^d QUEEN'S UNIVERSITY BELFAST   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; CONVERGENCE OF NUMERICAL METHODS; ELECTRIC CONDUCTANCE; ELECTRIC CURRENTS;

CURRENT-VOLTAGE SPECTRUM; DIATOMIC MOLECULAR JUNCTION; LANDAUER APPROACH;

MOLECULAR DYNAMICS;

EID: 34547649472     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2202329     Document Type: Article

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