Two-mode Floquet fewest switches surface hopping for nonadiabatic dynamics driven by two-frequency laser fields
Abstract
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.
Fields of Study & Subjects
Spectroscopy and Quantum Chemical Studies
Laser-Matter Interactions and Applications
Quantum chaos and dynamical systems
Publication details
- Journal / source
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Volume
- 164
- Issue
- 14
- Publication date
- 8 April 2026
- Language
- EN