研究目的
To evaluate the performance of the symmetrical quasi-classical dynamics method based on the Meyer-Miller mapping Hamiltonian (MM-SQC) in various site-exciton models with respect to the accurate results of quantum dynamics method multilayer multiconfigurational time-dependent Hartree (ML-MCTDH).
研究成果
The MM-SQC method performs well in site-exciton models, especially with slow baths or weak system-bath interactions. Proper treatment of bath modes, including the use of adiabatic renormalization for fast baths, is crucial for accurate results. The method shows promise for treating nonadiabatic dynamics in complex systems.
研究不足
The MM-SQC method may not accurately reproduce results for models with fast baths if high-frequency bath modes are improperly treated classically. The method's performance is also dependent on the initial sampling methods for nuclear degrees of freedom.