ABSTRACT
This chapter aims to introduce the reader to some of the basic results in the field of electronic structure simulation of hybrid perovskites, presenting several examples from the literature. The idea is not to provide a complete overview of what has been done in the field, a task that would require more than one entire book per se. The chapter presents the basic information of interest regarding the properties of a semiconducting material, which can be obtained from electronic structure simulations: band structure, electronic band gap, effective masses, and spontaneous polarization. From an experimental point of view, the dynamics of the electronic relaxation processes from high-energy excited states back to the ground state can be tracked by using time-resolved spectroscopic techniques, in the ultrafast regime: transient absorption and ultrafast Photoluminescence spectroscopy.
