Week 15
Speaker: Lukas Konecny and Bryan Melo Flores
Title: Revisiting the relativistic complex polarization propagator
Abstract: Complex polarization propagator (CPP) based on relativistic density functional theory calculates a response of a molecular system to an external field. It can be used to compute spectra in various regions including X-ray at spin-orbit split L and M edges owing to the relativistic treatment of electronic structure, while taking into account finite lifetimes of excited states.
LK will review his work done earlier at the Hylleraas Centre introducing the theory and motivation behind the CPP method.
BMF will then present his project that extends the method toward open shell systems.