High-harmonic spectra from time-dependent two-particle reduced-density-matrix theory

Fabian Lackner, Iva Březinová, Takeshi Sato, Kenichi L. Ishikawa, and Joachim Burgdörfer
Phys. Rev. A 95, 033414 – Published 16 March 2017

Abstract

The ab initio description of the nonlinear response of many-electron systems to strong-laser fields remains a major challenge. In order to address larger systems, alternative methods need to be developed that bypass the exponential scaling with particle number inherent to conventional wave-function-based approaches. In this paper we present a fully three-dimensional implementation of the time-dependent two-particle reduced-density-matrix (TD-2RDM) method for many-electron atoms. We benchmark this approach by a comparison with multiconfigurational time-dependent Hartree-Fock results for the harmonic spectra of beryllium and neon. We show that the TD-2RDM is very well suited to describe the nonlinear atomic response and to reveal the influence of electron-correlation effects.

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  • Received 3 November 2016

DOI:https://doi.org/10.1103/PhysRevA.95.033414

©2017 American Physical Society

Physics Subject Headings (PhySH)

Atomic, Molecular & Optical

Authors & Affiliations

Fabian Lackner1,*, Iva Březinová1,†, Takeshi Sato2,3, Kenichi L. Ishikawa2,3, and Joachim Burgdörfer1

  • 1Institute for Theoretical Physics, Vienna University of Technology, Wiedner Hauptstraße 8-10/136, 1040 Vienna, Austria, EU
  • 2Photon Science Center, School of Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan
  • 3Department of Nuclear Engineering and Management, School of Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan

  • *fabian.lackner@tuwien.ac.at
  • iva.brezinova@tuwien.ac.at

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Issue

Vol. 95, Iss. 3 — March 2017

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