High-harmonic generation (HHG) is a highly nonlinear optical process induced by an intense infrared pulse. The atomic or molecular target emits high-order harmonics (i.e., integer multiples of the pulse frequency) up to X-ray region. HHG spectroscopy studies how intensity and shape of harmonic peaks encode information on electronic structure and dynamics of the target. We simulate HHG by means of time-dependent Schrödinger equation: the electronic wavepacket is propagated under the influence of a strong electric field with an intensity of the order of 1014 W/cm2 . The wavepacket is composed of field-free eigenstates computed at configuration-interaction or TDDFT level. We develop and apply this protocol to investigate the strong-field electron dynamics in femto and attosecond regime in molecules, as uracil (shown in the Figure). (Emanuele Coccia)
