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

Xiao-Min Tong, Georg Wachter, Shunsuke A. Sato, Christoph Lemell, Kazuhiro Yabana, and Joachim Burgdörfer
Phys. Rev. A 92, 043422 – Published 29 October 2015

Abstract

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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  • Received 20 July 2015

DOI:https://doi.org/10.1103/PhysRevA.92.043422

©2015 American Physical Society

Authors & Affiliations

Xiao-Min Tong1,2,*, Georg Wachter3, Shunsuke A. Sato2, Christoph Lemell3, Kazuhiro Yabana1,2, and Joachim Burgdörfer3

  • 1Center for Computational Sciences, University of Tsukuba, Tsukuba 305-8577, Japan
  • 2Graduate School of Pure and Applied Sciences, University of Tsukuba, Tsukuba 305-8571, Japan
  • 3Institute for Theoretical Physics, Vienna University of Technology, 1040 Vienna, Austria

  • *tong.xiaomin.ga@u.tsukuba.ac.jp

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Vol. 92, Iss. 4 — October 2015

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