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Frozen Gaussian approximation with surface hopping for mixed quantum-classical dynamics: A mathematical justification of fewest switches surface hopping algorithms
We develop a surface hopping algorithm based on frozen Gaussian approximation for semiclassical matrix Schr\"odinger equations, in the spirit of Tully's fewest switches surface hopping method. The algorithm is asymptotically ...
A Mathematical Theory of Optimal Milestoning (with a Detour via Exact Milestoning)
Milestoning is a computational procedure that reduces the dynamics of complex systems to memoryless jumps between intermediates, or milestones, and only retains some information about the probability of these jumps and the ...
Lindblad equation and its semi-classical limit of the Anderson-Holstein model
For multi-level open quantum system, the interaction between different levels could pose challenge to understand the quantum system both analytically and numerically. In this work, we study the approximation of the dynamics ...