Finite-size modelling of electrodes for quantum transport calculations using k-space ab initio techniques

DOI10.1016/J.CPC.2009.12.006MaRDI QIDQ615129zbMATH OpenOpenAlexFDO

Authors Björn Oetzel, Friedhelm Bechstedt, Karsten Hannewald

Publication date 5 January 2011

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.cpc.2009.12.006

zbMATH Keywords

quantum transportdensity functional theory (DFT)Landauer=Büttiker theory

Mathematics Subject Classification ID

Quantum dynamics and nonequilibrium statistical mechanics (general) (82C10) Statistical mechanics of metals (82D35) Transport processes in time-dependent statistical mechanics (82C70)

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