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  Benchmarking semiclassical and perturbative methods for real-time simulations of cavity-bound emission and interference

Hoffmann, N., Schäfer, C., Säkkinen, N., Rubio, A., Appel, H., & Kelly, A. (2019). Benchmarking semiclassical and perturbative methods for real-time simulations of cavity-bound emission and interference. The Journal of Chemical Physics, 151(24): 244113. doi:10.1063/1.5128076.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0005-43F7-9 Version Permalink: http://hdl.handle.net/21.11116/0000-0005-C7F2-9
Genre: Journal Article

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1909.07177.pdf (Postprint), 727KB
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This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in J. Chem. Phys. 151, 244113 (2019) and may be found at https://aip.scitation.org/doi/abs/10.1063/1.5128076.
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1.5128076.pdf
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This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in J. Chem. Phys. 151, 244113 (2019) and may be found at https://aip.scitation.org/doi/full/10.1063/1.5128076.
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https://arxiv.org/abs/1909.07177 (Postprint)
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https://dx.doi.org/10.1063/1.5128076 (Publisher version)
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 Creators:
Hoffmann, N.1, 2, Author              
Schäfer, C.1, 2, Author              
Säkkinen, N.1, 2, Author              
Rubio, A.1, 2, Author              
Appel, H.1, 2, Author              
Kelly, A.1, 2, 3, Author              
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, ou_persistent22              
3Department of Chemistry, Dalhousie University, ou_persistent22              

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 Abstract: We benchmark a selection of semiclassical and perturbative dynamics techniques by investigating the correlated evolution of a cavity-bound atomic system to assess their applicability to study problems involving strong light-matter interactions in quantum cavities. The model system of interest features spontaneous emission, interference, and strong coupling behavior and necessitates the consideration of vacuum fluctuations and correlated light-matter dynamics. We compare a selection of approximate dynamics approaches including fewest switches surface hopping (FSSH), multitrajectory Ehrenfest dynamics, linearized semiclassical dynamics, and partially linearized semiclassical dynamics. Furthermore, investigating self-consistent perturbative methods, we apply the Bogoliubov-Born-Green-Kirkwood-Yvon hierarchy in the second Born approximation. With the exception of fewest switches surface hopping, all methods provide a reasonable level of accuracy for the correlated light-matter dynamics, with most methods lacking the capacity to fully capture interference effects.

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Language(s): eng - English
 Dates: 2019-09-162019-11-292019-12-262019-12-28
 Publication Status: Published in print
 Pages: -
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 Table of Contents: -
 Rev. Method: Peer
 Identifiers: arXiv: 1909.07177
DOI: 10.1063/1.5128076
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Title: The Journal of Chemical Physics
  Other : J. Chem. Phys.
Source Genre: Journal
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Publ. Info: Woodbury, N.Y. : American Institute of Physics
Pages: - Volume / Issue: 151 (24) Sequence Number: 244113 Start / End Page: - Identifier: ISSN: 0021-9606
CoNE: https://pure.mpg.de/cone/journals/resource/954922836226