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Simdyankin, S. I. and Elliott, S. R. and Hajnal, Z. and Niehaus, Thomas A. and Frauenheim, Th. (2004) Simulation of the physical properties of the chalcogenide glass As(<sub>2</sub>)S(<sub>3</sub>) using a density-functional based tight-binding method. Phys. Rev. B 69, p. 144202.
Frauenheim, Th. and Seifert, G. and Elstner, M. and Niehaus, Thomas A. and Köhler, C. and Amkreutz, M. and Sternberg, M. and Hajnal, Z. and Di Carlo, A. and Suhai, S. (2002) Atomistic simulations of complex materials: ground-state and excited-state properties. J. Phys.: Condens. Matter 14, p. 3015.