Methodological Developments

Density functional theory has been a huge success for the description of groud-state properties of solids and molecules. However, the description of band gaps and excited electron states or of highly correlated materials is less precise. For these examples the one-electron theory has to be replaced by a  many-body theory. Our group is working on the development of refined quantum-chemical approaches, like Green's function bases  methods, and their implementation in VASP.