期刊
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
卷 22, 期 16, 页码 -出版社
MDPI
DOI: 10.3390/ijms22168514
关键词
numerical method; laser-matter interaction; time-dependent Schrodinger equation; time-dependent unitary transformation method; strong-field ionization; Kramers-Henneberger frame
资金
- National Research Foundation of Korea (NRF) - Korea government (MSIT) [2020R1C1C1012953]
- National Research Foundation of Korea (NRF) - Ministry of Science and ICT [2016K1A4A4A01922028]
The study discusses the calculation of time evolution operators for strongly ionizing medium using the TDUT method, focusing on its applicability in quasi-adiabatic regimes and non-Hermitian quantum systems. The method is verified for one-dimensional atom as a prototype, but it can be extended to three-dimensional atoms and molecules exposed to strong laser fields.
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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