Time-Dependent Unitary Transformation Method In The Strong-Field-Ionization Regime With The Kramers-Henneberger Picture

JH Mun, H Sakai,DE Kim

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES(2021)

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Abstract
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 (delta t<<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.
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Key words
numerical method, laser-matter interaction, time-dependent Schrodinger equation, time-dependent unitary transformation method, strong-field ionization, Kramers-Henneberger frame
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