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math.NA2022
Asymptotic analysis of diabatic surface hopping algorithm in the adiabatic and non-adiabatic limits
Zhenning Cai, Di Fang, Jianfeng Lu
Surface hopping algorithms, as an important class of quantum dynamics simulation algorithms for non-adiabatic dynamics, are typically performed in the adiabatic representation, whi…
math.NA2022
Vector-wise Joint Diagonalization of Almost Commuting Matrices
Bowen Li, Jianfeng Lu, Ziang Yu
This work aims to numerically construct exactly commuting matrices close to given almost commuting ones, which is equivalent to the joint approximate diagonalization problem. We fi…