Gerald Knizia group homepage

Electronic Structure Theory

Gerald Knizia
The Knizia group is concerned with method development in electronic structure theory. Our efforts are primarily aimed at first-principles treatments of molecules, but we also got interested in simplified model systems and the the link to intuitive chemical concepts recently.

We consider our primary mission to produce useful programs, which can be applied to actual application problems. While we do fundamental research in electronic structure, we only consider a task done once a useful program has emerged.