First-principles simulation of the electronic stopping power of He ions in Al at finite temperature

Charge-state effects on charge transfer of helium ions in gold nanosheet

“…We will utilize density functional theory to initialize the electronic orbitals of the projectile/target system, while TDDFT will be employed to simulate the electron dynamics. In our model of bare He 2+ ion collisions, He 2+ ion is simply given an initial velocity v. However, in the case of He + ion with one bound electron, the preparation of the initial state must be carefully considered in order to avoid an unphysical initial decoupling of the projectile's nucleus from the bound electron [41]. In order to achieve this, we included a phase factor e ik•r before KSO of the projectile's bound electron at time t = 0.…”

Effects of semicore electrons on stopping power in helium-irradiated aluminum nanosheets

“…The supercell size is chosen to meet the computational requirements of cost control while minimizing the impact of grain size on the S e . In previous studies, 74 the influence of the thickness of the film on the system was clearly compared. The result shows that increasing the thickness on the basis of the 4-layer Al film has little effect on S e .…”

A Time-Dependent-Density-Functional-Theory Study of Charge Transfer Processes of Li2+ Colliding with Ar in the MeV Region

“…However, charge transfer of dressed projectiles has attracted significant interests in recent years, because the active electrons of the projectile play a role in specific processes, [7][8][9] resulting in more complicated mechanisms, such as the screening effects, [10][11][12] the enhancement of state-selected cross sections, [13,14] and stopping powers. [15] To theoretically describe the dressed projectile, the effect of its active electrons cannot be neglected. In general, the model potential works at high impact energies (more than several MeV), but may be incapable of giving convincing details for state-resolved properties.…”