Strong-field ionization of Li and Be: a time-dependent density functional theory with self-interaction correction

In the framework of the time-dependent density functional theory, we have performed 3D calculations of multiphoton ionization of Li and Be atoms by strong near-infrared laser fields. The results for the intensity-dependent probabilities of single and double ionization are presented. We make use of the time-dependent Krieger-Li-Iafrate exchange-correlation potential with self-interaction correction (TD-KLI-SIC). Such a potential possesses an integer discontinuity which improves description of the ionization process. However, we have found that the discontinuity of the TD-KLI-SIC potential is not sufficient to reproduce characteristic feature of double ionization.

► Multiphoton ionization is calculated by time-dependent density functional theory. ►Exchange-correlation potential is built by time-dependent Krieger-Li-Iafrate method. ► Integer discontinuity of the potential improves description of ionization. ► Probabilities of single ionization of Li and double ionization of Be are presented.