Ab-initio theory of semiconductor band structures: New developments and progress (original) (raw)

The paper discusses advancements in the ab-initio theory of semiconductor band structures, highlighting the historical evolution from empirical methods to density functional theory and many-body perturbation theory. It reviews the limitations of ground-state DFT in accurately predicting electronic properties, particularly energy gaps, and presents recent developments in calculating electronic states using the GW approximation. The research provides a systematic approach for modeling electronic excitations without relying on experimental data.