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Article

Time-Dependent Unitary Transformation Method in the Strong-Field-Ionization Regime with the Kramers-Henneberger Picture

by 1,2,*, 3,4 and 1,2
1
Department of Physics and Center for Attosecond Science and Technology, POSTECH, Pohang 37673, Korea
2
Max Planck POSTECH/KOREA Research Initiative, Pohang 37673, Korea
3
Department of Physics, Graduate School of Science, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033, Japan
4
Institute for Photon Science and Technology, Graduate School of Science, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033, Japan
*
Author to whom correspondence should be addressed.
Academic Editor: Małgorzata Borówko
Int. J. Mol. Sci. 2021, 22(16), 8514; https://doi.org/10.3390/ijms22168514
Received: 25 June 2021 / Revised: 3 August 2021 / Accepted: 4 August 2021 / Published: 7 August 2021
(This article belongs to the Special Issue Advances in Molecular Simulation)
Time evolution operators of a strongly ionizing medium are calculated by a time-dependent unitary transformation (TDUT) method. The TDUT method has been employed in a quantum mechanical system composed of discrete states. This method is especially helpful for solving molecular rotational dynamics in quasi-adiabatic regimes because the strict unitary nature of the propagation operator allows us to set the temporal step size to large; a tight limitation on the temporal step size (δt<<1) can be circumvented by the strict unitary nature. On the other hand, in a strongly ionizing system where the Hamiltonian is not Hermitian, the same approach cannot be directly applied because it is demanding to define a set of field-dressed eigenstates. In this study, the TDUT method was applied to the ionizing regime using the Kramers-Henneberger frame, in which the strong-field-dressed discrete eigenstates are given by the field-free discrete eigenstates in a moving frame. Although the present work verifies the method for a one-dimensional atom as a prototype, the method can be applied to three-dimensional atoms, and molecules exposed to strong laser fields. View Full-Text
Keywords: numerical method; laser-matter interaction; time-dependent Schrödinger equation; time-dependent unitary transformation method; strong-field ionization; Kramers-Henneberger frame numerical method; laser-matter interaction; time-dependent Schrödinger equation; time-dependent unitary transformation method; strong-field ionization; Kramers-Henneberger frame
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MDPI and ACS Style

Mun, J.-H.; Sakai, H.; Kim, D.-E. Time-Dependent Unitary Transformation Method in the Strong-Field-Ionization Regime with the Kramers-Henneberger Picture. Int. J. Mol. Sci. 2021, 22, 8514. https://doi.org/10.3390/ijms22168514

AMA Style

Mun J-H, Sakai H, Kim D-E. Time-Dependent Unitary Transformation Method in the Strong-Field-Ionization Regime with the Kramers-Henneberger Picture. International Journal of Molecular Sciences. 2021; 22(16):8514. https://doi.org/10.3390/ijms22168514

Chicago/Turabian Style

Mun, Je-Hoi, Hirofumi Sakai, and Dong-Eon Kim. 2021. "Time-Dependent Unitary Transformation Method in the Strong-Field-Ionization Regime with the Kramers-Henneberger Picture" International Journal of Molecular Sciences 22, no. 16: 8514. https://doi.org/10.3390/ijms22168514

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