Tight Binding Parameters by DFT mapping
Ab-initio to Tight-Binding Working Group
This resource belongs to the Ab-initio to Tight-Binding Working Group group.
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Researchers should cite this work as follows:
Yaohua Tan; Michael Povolotskyi; Tillmann Christoph Kubis; Yu He; Zhengping Jiang; Gerhard Klimeck; Timothy Boykin (2012), "Tight Binding Parameters by DFT mapping," https://nanohub.org/resources/15173.