Avoided crossings, nonadiabatic quantum

Finally, we consider the performance of the MFT method for nonadiabatic dynamics induced by avoided crossings of the respective potential energy surfaces. We start with the discussion of the one-mode model. Model IVa, describing ultrafast intramolecular electron transfer. The comparison of the MFT method (dashed line) with the quantum-mechanical results (full line) shown in Fig. 5 demonstrates that the MFT method gives a rather good description of the short-time dynamics (up to 50 fs) for this model. For longer times, however, the dynamics is reproduced only qualitatively. Also shown is the time evolution of the diabatic electronic coherence which, too, is... 

To the best of our knowledge, most of the general theories of nonadia-batic transition has been formulated to treat one-dimensional nonadiabatic systems of an isolated avoided crossing, the Landau Zener theory being an example. On the other hand, the theory of PSANB (and SET as well as its approximation) is not limited to those specific cases. Nevertheless, we need to examine how practically PSANB works by comparing its results with the full quantum calculations in a couple of one-dimensional... 

---