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Nov 14 2013
Empirical Tight-binding Parameterization of SmSe in the sp3d5f7s* model
26 Mar 2013 | Downloads | Contributor(s): Zhengping Jiang, Marcelo Kuroda, Yaohua Tan, Dennis M. Newns, Michael Povolotskyi, Timothy Boykin, Tillmann Christoph Kubis, Gerhard Klimeck, Glenn J. Martyna
The Empirical Tight Binding(ETB) method is widely used in atomistic device simulations. The reliability of such simulations depends very strongly on the choice of basis sets and the ETB...