International Journal of Molecular Sciences (Aug 2021)

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

  • Je-Hoi Mun,
  • Hirofumi Sakai,
  • Dong-Eon Kim

DOI
https://doi.org/10.3390/ijms22168514
Journal volume & issue
Vol. 22, no. 16
p. 8514

Abstract

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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 (δt1) 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.

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