Stochastic Simulation of Nonadiabatic Dynamics at Long Time

Details Stochastic Simulation of Nonadiabatic Dynamics at Long Time Stochastic Simulation of Nonadiabatic Dynamics at Long Time

2010-03-16

arxiv.org/abs/1003.3117v2

Physics

Quantum Physics

Revised version

Scientific paper

Using a generalized energy-conserving transition probability, it is shown how nonadiabatic calculations, within the Wigner-Heisenberg representation of quantum mechanics, can be reliably extended to far longer times than those allowed by a primitive sampling scheme. Tackling the spin-boson model as a paradigmatic example, substantial numerical evidence is provided that effective integration of the dynamics can be achieved for a wide range of temperatures and friction.

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