||Application of norm-conserving pseudopotentials to intense laser-matter interactions
Tong, Xiao-Min ,
Wachter, Georg ,
Sato, Shunsuke A. ,
Lemell, Christoph ,
Yabana, KazuhiroBurgdörfer, Joachim
, p.043422 , 2015-10 , American Physical Society
We investigate the applicability of norm-conserving pseudopotentials to intense laser-matter interactions by performing time-dependent density functional theory simulations with an all-electron potential and with norm-conserving pseudopotentials. We find pseudopotentials to be reliable for the simulation of above-threshold ionization over a broad range of laser intensities both for the total ionization probability and the photoelectron energy spectrum. For the simulation of high-order-harmonic generation, pseudopotentials are shown to be applicable for lower-order harmonics in the spectral range in which the one-photon recombination dipole-matrix element can be recovered by the pseudopotential calculation.