Yambo operates by solving the Bethe-Salpeter Equation (BSE) and the GW approximation to provide insights into the electronic excitations and quasiparticle energies. It starts with a ground-state calculation using DFT, generating a set of wavefunctions and energies. These results are then used as input for Yambo to calculate the excited-state properties, enabling the study of electronic transitions, optical spectra, and other properties relevant to catalysis.
