Fuchs, Martin Theory, Fritz Haber Institute, Max Planck Society;
Scheffler, Matthias Theory, Fritz Haber Institute, Max Planck Society;
2413.pdf (Preprint), 394KB
Fuchs, M., & Scheffler, M. (1999). Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory. Computer Physics Communications, 119(1), 67-98.