Dirk Porezag

Density-functional-based predictions of Raman and IR spectra for small Si clusters

Koblar A. Jackson, Thomas Frauenheim, Mark R. Pederson, 1997 .

Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties

Sándor Suhai, Gotthard Seifert, Marcus Elstner, 1998 .