Two-frequency (two-color) laser fields provide a powerful and flexible means for steering molecular dynamics. However, quantitatively reliable and scalable theoretical tools for simulating laser-driven nonadiabatic processes under such fields remain limited. Here, we develop a two-mode Floquet fewest switches surface hopping (two-mode F-FSSH) approach for two-frequency driving within a mixed quantum-classical framework. We validate the algorithm on three driven one-dimensional two-state models: a Rabi model and two avoided-crossing scattering models. The electronic and nuclear dynamics are benchmarked against numerically exact results from split-operator calculations, showing good agreement across a broad range of initial conditions and field parameters. These results establish two-mode F-FSSH as a practical framework for designing and simulating two-frequency control protocols and motivate extensions to more realistic systems.
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Jiayue Han
Vahid Mosallanejad
Ruihao BI
The Journal of Chemical Physics
Westlake University
Institute of Natural Science
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Han et al. (Wed,) studied this question.
www.synapsesocial.com/papers/69d896a46c1944d70ce08394 — DOI: https://doi.org/10.1063/5.0321475