Potential energy surface nonadiabatic tunneling

The method is composed of the following algorithms (1) transition position is detected along each classical trajectory, (2) direction of transition is determined there and the ID cut of the potential energy surfaces is made along that direction, (3) judgment is made whether the transition is LZ type or nonadiabatic tunneling type, and (4) the transition probability is calculated by the appropriate ZN formula. The transition position can be simply found by... 

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