We review the momentum-jump approximation in the quantum-classical Liouville formulation of nonadiabatic dynamics. We consider different momentum shift rules and study their numerical importance in computer simulations of the spin-boson model. Our findings might help the design of generalized sampling schemes of nonadiabatic dynamics at long time.
Momentum Shift in Nonadiabatic Dynamics
SERGI, ALESSANDRO;
2011-01-01
Abstract
We review the momentum-jump approximation in the quantum-classical Liouville formulation of nonadiabatic dynamics. We consider different momentum shift rules and study their numerical importance in computer simulations of the spin-boson model. Our findings might help the design of generalized sampling schemes of nonadiabatic dynamics at long time.File in questo prodotto:
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