Journal
PHYSICAL REVIEW A
Volume 95, Issue 3, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevA.95.033414
Keywords
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Funding
- FWF (Austria) [FWF-SFB042-VICOM, FWF-SFB049-NEXTlite]
- FWF Doctoral College Solids4Fun [W1243]
- WWTF [MA14-002]
- IMPRS-APS
- Ministry of Education, Culture, Sports, Science and Technology (MEXT) of Japan [25286064, 26390076, 26600111, 16H03881]
- Photon Frontier Network Program of MEXT
- Center of Innovation Program from the Japan Science and Technology Agency
- JST
- CREST, JST
- Grants-in-Aid for Scientific Research [16H03881, 26600111, 26390076] Funding Source: KAKEN
- Austrian Science Fund (FWF) [W1243] Funding Source: Austrian Science Fund (FWF)
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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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