A fast matrix inverse algorithm for the NEGF + DFT approach with localized basis functions

Journal of Computational and Theoretical Nanoscience

Volumn 5, Issue 4, 2008, Pages 671-676

  Qian, Zekan ^a   Hou, Shimin ^a   Li, Rui ^a   Shen, Ziyong ^a   Zhao, Xingyu ^a   Xue, Zengquan ^a  

^a PEKING UNIVERSITY   (China)

Author keywords

Density functional theory; Electron transport; Matrix inverse; Molecular electronics; Non equilibrium green's function

Indexed keywords

CARRIER CONCENTRATION; ELECTRODES; ELECTRON TRANSPORT PROPERTIES; GREEN'S FUNCTION; INVERSE PROBLEMS; MATRIX ALGEBRA; MOLECULAR ELECTRONICS;

MATRIX INVERSE ALGORITHM; NON-EQUILIBRIUM GREEN'S FUNCTION;

DENSITY FUNCTIONAL THEORY;

EID: 44649177049     PISSN: 15461955     EISSN: None     Source Type: Journal    
DOI: 10.1166/jctn.2008.035     Document Type: Article

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