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  Comment on “Origin of symmetry-forbidden high-order harmonic generation in the time-dependent Kohn-Sham formulation”

Neufeld, O., Tancogne-Dejean, N., & Rubio, A. (2022). Comment on “Origin of symmetry-forbidden high-order harmonic generation in the time-dependent Kohn-Sham formulation”. Physical Review A, 105(4): 047101. doi:10.1103/PhysRevA.105.047101.

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PhysRevA.105.047101.pdf (Verlagsversion), 435KB
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Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI. Open access publication funded by the Max Planck Society.

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 Urheber:
Neufeld, O.1, 2, Autor           
Tancogne-Dejean, N.1, 2, Autor           
Rubio, A.1, 2, 3, Autor           
Affiliations:
1Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_2266715              
2Center for Free-Electron Laser Science, Hamburg, ou_persistent22              
3Center for Computational Quantum Physics (CCQ), The Flatiron Institute, ou_persistent22              

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 Zusammenfassung: In their recent paper [Phys. Rev. A 103, 043106 (2021)], Zang et al. theoretically investigated high harmonic generation (HHG) in benchmark two-electron systems that are inversion symmetric with time-dependent density functional theory (TDDFT) in the Kohn-Sham formulation. They found that the theory wrongly predicted the emission of symmetry-forbidden even harmonics and concluded that this error originates from an inherent problem of TDDFT that unphysically populates one- and two-electron excited states. They further claimed that this effect results in an incorrect HHG cutoff energy. We reproduced their main results, but found that the unphysical even harmonics that they observed originated from numerical errors introduced by the boundary conditions. We show that contrary to their claims, the HHG cutoff energy calculated within TDDFT agrees perfectly with the standard and well-established models of HHG.

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Sprache(n): eng - English
 Datum: 2021-06-242022-03-222022-04-062022-04
 Publikationsstatus: Erschienen
 Seiten: -
 Ort, Verlag, Ausgabe: -
 Inhaltsverzeichnis: -
 Art der Begutachtung: Expertenbegutachtung
 Identifikatoren: DOI: 10.1103/PhysRevA.105.047101
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Projektname : We thank an anonymous referee for insightful contributions. We acknowledge financial support from the European Research Council (Grant No. ERC-2015-AdG-694097). The Flatiron Institute is a division of the Simons Foundation. O.N. gratefully acknowledges the support of the Humboldt foundation, and support from a Schmidt Science Fellowship. This work was supported by the Cluster of Excellence Advanced Imaging of Matter (AIM), Grupos Consolidados (Grant No. IT1249-19) and SFB925, Light induced dynamics and control of correlated quantum systems.
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Titel: Physical Review A
  Andere : Physical Review A: Atomic, Molecular, and Optical Physics
  Andere : Phys. Rev. A
Genre der Quelle: Zeitschrift
 Urheber:
Affiliations:
Ort, Verlag, Ausgabe: New York, NY : American Physical Society
Seiten: - Band / Heft: 105 (4) Artikelnummer: 047101 Start- / Endseite: - Identifikator: ISSN: 1050-2947
CoNE: https://pure.mpg.de/cone/journals/resource/954925225012_2