Theoretical Chemistry Group - Faculty for Chemistry and Pharmacy

Daniel Graf

Dr. Daniel Graf
Room: B5.004
Phone: +49 89 2180-77917
E-Mail: daniel.graf[at]cup.uni-muenchen.de
Link: GoogleScholar

Research interests:

One of the major goals of quantum chemistry is to develop electronic-structure methods which are not only highly accurate in the evaluation of electronic ground-state properties, but also computationally tractable and versatile in their application. A theory with great potential in this respect, however, without being free from shortcomings is the random phase approximation (RPA). The main focus of my research lies on developing novel RPA-based electronic-structure methods, which overcome the most important of these shortcomings and manage the difficult task of pairing accuracy with efficiency. Besides that, I try to leverage the connection between RPA and other electron correlation methods, like Møller-Plesset perturbation theory and Coupled Cluster theory, to contribute to these research areas as well.