学術雑誌論文 Application of norm-conserving pseudopotentials to intense laser-matter interactions

Tong, Xiao-Min  ,  Wachter, Georg  ,  Sato, Shunsuke A.  ,  Lemell, Christoph  ,  Yabana, Kazuhiro  ,  Burgdörfer, Joachim

92 ( 4 )  , p.043422 , 2015-10 , American Physical Society
ISSN:1050-2947
NII書誌ID(NCID):AA10764867
内容記述
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.
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