Application of norm-conserving pseudopotentials to intense laser-matter interactions | Zendy

XiaoMin Tong | Zendy; Georg Wachter | Zendy; Shunsuke Sato | Zendy; C. Lemell | Zendy; Kazuhiro Yabana | Zendy; Joachim Burgdörfer | Zendy

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Application of norm-conserving pseudopotentials to intense laser-matter interactions

Author(s) -

XiaoMin Tong,

Georg Wachter,

Shunsuke Sato,

C. Lemell,

Kazuhiro Yabana,

Joachim Burgdörfer

Publication year - 2015

Publication title -

physical review a

Language(s) - English

Resource type - Journals

eISSN - 1094-1622

pISSN - 1050-2947

DOI - 10.1103/physreva.92.043422

Subject(s) - physics , pseudopotential , atomic physics , ionization , laser , above threshold ionization , high harmonic generation , photoionization , density matrix , harmonics , photon energy , dipole , quantum mechanics , norm (philosophy) , photon , ion , quantum , voltage , political science , law

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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