First-principles modelling for time-resolved ARPES under different pump–probe conditions

First-principles methods for time-resolved angular resolved photoelectron spectroscopy play a pivotal role in providing interpretation and microscopic understanding of the complex experimental data exploring novel observables or observation conditions that may be achieved future experiments. Here we describe an efficient, reliable scalable first-principles method tr-ARPES based on time-dependent density functional theory including propagation surface effects usually discarded widely used many-body techniques computing non-equilibrium spectral function discuss its application to variety pump–probe conditions. We identify four conditions, depending length probe relative excitation materials one hand overlap between pump other hand. Within this paradigm different examples ARPES are discussed view newly developed highly accurate spectroscopies.