Two-mode Floquet fewest switches surface hopping for nonadiabatic dynamics driven by two-frequency laser fields

View at publisher
Authors: Jiayue Han, Vahid Mosallanejad, Ruihao BI, Wenjie Dou
Cited by: 2
References: 71

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