First-principles simulations for attosecond photoelectron spectroscopy based on time-dependent density functional theory

European Physical Journal B 91: 126 (2018)

First-principles simulations for attosecond photoelectron spectroscopy based on time-dependent density functional theory

Shunsuke A. Sato, Hannes Húbener, Angel Rubio, Umberto De Giovannini

We develop a First-principles simulation method for attosecond time-resolved photoelectron spectroscopy. This method enables us to directly simulate the whole experimental processes, including excitation, emission and detection on equal footing. To examine the performance of the method, we use it to compute the reconstruction of attosecond beating by interference of two-photon transitions (RABBITT) experiments of gas-phase Argon. The computed RABBITT photoionization delay is in very good agreement with recent experimental results from [Klünder et al, Phys. Rev. Lett. 106 143002 (2011)] and [Guenot et al, Phys. Rev. A 85 053424 (2012)]. This indicates the significance of a fully-consistent theoretical treatment of the whole measurement process to properly describe experimental observables in attosecond photoelectron spectroscopy. The present framework opens the path to unravel the microscopic processes underlying RABBITT spectra in more complex materials and nanostructures.

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http://dx.doi.org/10.1140/epjb/e2018-90108-7
arxiv
http://arxiv.org/abs/1802.08619
Notes
We thank L. Gallmann for carefully reading the manuscript and providing valuable comments. We thank U. Keller for helpful discussions and insight into this problem. We acknowledge financial support from the European Research Council (ERC-2015-AdG-694097), Grupos Consolidados (IT578-13) and the European Union's Horizon 2020 Research and Innovation program under Grant Agreements no. 676580 (NOMAD). S. A. S. acknowledges support by Alexander von Humboldt Foundation.

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