Electronic transport calculations in the onetep code: Implementation and applications

Published 2015 View Full Article

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Title
Electronic transport calculations in the onetep code: Implementation and applications
Authors
Keywords
Electronic transport, Landauer–Büttiker formalism, First-principles calculation, Density-functional theory (DFT), Linear-scaling DFT, Wannier functions, Carbon nanotubes, Molecular devices
Journal
COMPUTER PHYSICS COMMUNICATIONS
Volume 193, Issue -, Pages 78-88
Publisher
Elsevier BV
Online
2015-04-13
DOI
10.1016/j.cpc.2015.04.002

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