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M. Elstner, D. Porezag, G. Jungnickel, J. Elsner, M. Haugk, T. Frauenheim, S. Suhai and G. Seifert, “Self-Consistent-Charge Density-Functional Tight-Binding Method for Simulations of Complex Materials Properties,” Physical Review B, Vol. 58, No. 11, 1998, pp. 7260-7268. http://dx.doi.org/10.1103/PhysRevB.58.7260

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