Hylleraas Seminar, Lukas Konecny
Hylleraas seminar, hosted in Tromsø
Speaker: Lukas Konecny
Title: Chiroptical properties form relativistic real-time TDDFT
Abstract: We describe how chiroptical properties such as electron circular dichroism spectra can be calculated from real-time time-dependent density functional theory simulations. We discuss the implications of relativistic treatment and the performance of quasi-relativistic two-component X2C method when compared with the full four-component treatment.
The Hylleraas seminars alternate between Oslo (room V205) and Tromsø (room C329), and are broadcasted by video conference to the other place. It is possible to follow the seminars externally upon request.