Frauenheim00

T. Frauenheim, G. Seifert, M. Elstner, Z. Hajnal, G. Jungnickel, D. Porezag, S. Suhai, and R. Scholz, “A self-consistent charge density-functional based tight-binding method for predictive materials simulations in physics, chemistry and biology,” Physica Stat. Sol. B, 217 (2000) 41-62. DOI: 3.0.CO;2-V>10.1002/(SICI)1521-3951(200001)217:13.0.CO;2-V