Simulating angle-resolved photoemission in real-time from first principles

Photoemission experiments are often interpreted by relating the measured quantities to orbitals and eigenvalues of the studied system. After a short review of this usual interpretation, the talk will take a look at how photoemission can alternatively be calculated as a process in real time. Using time-dependent density functional theory, the escape of electrons after an excitation can be simulated as a time-dependent process and the kinetic energy of the outgoing wave packets can be analyzed with angular resolution. This allows to simulate angle-resolved photoemission and study, e.g., final state effects and circular dichroism.