Benchmark density functional theory calculations for nanoscale conductance

Journal of Chemical Physics

Volumn 128, Issue 11, 2008, Pages

  Strange, M ^a   Kristensen, I S ^a   Thygesen, K S ^a   Jacobsen, K W ^a  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

CONVERGENCE OF NUMERICAL METHODS; DENSITY FUNCTIONAL THEORY; POLARIZATION; ZETA POTENTIAL;

ATOMIC ORBITAL; NANOSCALE CONDUCTANCE; TRANSMISSION FUNCTIONS; WANNIER FUNCTIONS;

ELECTRIC CONDUCTANCE;

EID: 41049083554     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2839275     Document Type: Article

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