Fritz Haber Institute events Speaker: Prof. Stefan Grimme Host: TH Department New ’Low-Cost’ Electronic Structure Methods for Large Systems TH Department Online Seminar Date: Mar 16, 2023 Time: 03:00 PM (Local Time Germany) Speaker: Prof. Stefan Grimme Mulliken Center for Theoretical Chemistry, Clausius Institute for Physical and Theoretical Chemistry, University of Bonn, Germany Location: https://zoom.us/j/97106685817?pwd=U1RlRXRwWDd1aWRlQlgwRURqVzRKdz09 Room: Meeting ID: 971 0668 5817 | Passcode: 282712 Host: TH Department All widely used semi-empirical quantum chemical methods like PM6, DFTB, or GFN-xTB are formulated in a (almost) minimal basis set of atomic orbitals, which limits the achievable accuracy for many important chemical properties. [more]
