2024/10/24 by Jingqi Chen, Joonho Lee, Chen, Jingqi +3 · 1 citation
Physics and Astronomy · #Chemical Physics (physics.chem-ph) #Cold Atom Physics and Bose-Einstein Condensates #FOS: Physical sciences #Quantum Physics (quant-ph) #Quantum chaos and dynamical systems #Spectroscopy and Quantum Chemical Studies
paper · pdf · doi:10.48550/arxiv.2410.18369
openalex publication_date 2024/10/24 · openalex created_date 2024/11/13 · openalex updated_date 2026/07/28
One key challenge in the study of nonadiabatic dynamics in open quantum systems is to balance computational efficiency and accuracy. Although Ehrenfest dynamics (ED) is computationally efficient and well-suited for large complex systems, ED often yields inaccurate results. To address these limitations, we improve the accuracy of the traditional ED by adding a random force (E+σ). In this work, the construction of random forces is considered in Markovian and non-Markovian scenarios, and we ensure the dynamics satisfy the detailed balance in both scenarios. By comparing our E+σ with existing methods such as the electronic friction model and surface hopping, we furthermore validate its reliability. In addition, E+σ model still retains the high efficiency of the ED and does not incur much additional computation. We believe that this method provides an alternative to accurately describe mixed quantum-classical dynamics in open quantum systems, particularly for large complex systems.