Learning Optimal Decoherence Time Formulas for Surface Hopping Simulation of High-Dimensional Scattering

Cancan Shao, Rixin Xie, Zhecun Shi +1

In our recent work (J. Phys. Chem. Lett. 2023, 14, 7680), we utilized the exact quantum dynamics results as references and proposed a general machine learning method to obtain the…