Fast all-electron real-time TDDFT calculations for electronic stopping power

Swift ions traveling through matter are slowed down due to electronic excitations. The electronic stopping power quantifies this phenomenon and is central to the aging of functional materials in nuclear or space environments [1]. Confronted with the heavy computational cost of real-time time-dependent density-functional theory (RT-TDDFT) approaches, we have developed a fast alternative using localized Gaussian-type orbitals [2, 3]. Our program has been successfully applied to both metal [3] and insulator [4] targets, however only for projectile ions totally stripped of their electrons.

We will present here our recent progresses in the inclusion of projectile electrons. Having a time-dependent basis is a theoretical and a computational challenge. We will also show our latest results for proton and α-particle impinging metallic targets.