4 papers
Dynamics of ballistic photocurrents driven by Coulomb scattering
Liang Z. Tan, Xavier Andrade, Sangeeta Rajpurohit +2
First principles real-time time dependent density functional theory (rt-TDDFT) calculations reveal the existence of ballistic photocurrents generated by Coulomb scattering, which h…
SHarmonic: A fast and accurate implementation of spherical harmonics for electronic-structure calculations
Xavier Andrade, Jacopo Simoni, Yuan Ping +2
The authors present SHarmonic, a new implementation of the spherical harmonics targeted for electronic-structure calculations. Their approach is to use explicit formulas for the ha…
Spin non-Collinear Real-Time Time-Dependent Density-Functional Theory and Implementation in the Modern GPU-Accelerated INQ code
Jacopo Simoni, Xavier Andrade, Wuzhang Fang +4
Time-dependent density functional theory (TDDFT) is a theory that describes the time evolution of quantum mechanical many-electron systems under the influence of external time-depe…
Anomalies in the electronic stopping of slow antiprotons in LiF
Guerda Massillon-JL, Alfredo A. Correa, Xavier Andrade +1
We present first-principles theoretical calculations for the electronic stopping power (SP) of both protons and anti-protons in LiF. Our results show the presence of the Barkas eff…