Nuclear wavepacket dynamics

This chapter will first describe the principles of experimental techniques which enable us to study the nuclear wavepacket dynamics at surfaces. We focus... 

In this chapter we have surveyed recent experimental progress on the investigation of ultrafast nuclear wavepacket dynamics at surfaces. Nuclear (or vibrational) wavepackets of adsorbates are excited with ultrashort laser pulses, and subsequently their evolutions are probed with surface nonlinear spectroscopy such as 2PPE and SHG. These studies provide rich information on the initial stages of photoinduced... 

The control is exercised by means of a few-cycle control pulse field with a cycle duration comparable to the time-scale of the nuclear dynamics and a short pulse width such that the control can be switched on/off at the right moment with respect to the position of the evolving wavepacket. First we survey the effects the moving crossing has on the nuclear wavepacket dynamics by looking at the results of a simplified single-cycle control pulse of the form... 

Summary of the standard nuclear wavepacket dynamics for nonadiabatic transitions... 

Practices in the semiclassical Ehrenfest theory and the full quantum dynamics of nuclear wavepacket dynamics... 

Quantum mechanical transition probability based on nuclear wavepacket dynamics in adiabatic representation... 

We now unify the theory of electron wavepackets on the non-Born-Oppenheimer branching paths (PSANB) and the nuclear wavepacket dynamics running along these paths (ADF). This is readily done as... 

The studies so far made for this ESHAT employed the ab initio configuration interaction (Cl) and/or complete active space SCF (CAS-SCF) methods and examined only the two lowest coupled potential energy surfaces (and nuclear wavepacket dynamics simplified [228]). However, because of the fact that the relevant excited states are highly quasi-degenerate in reality, and in view of the complicated nature of electron dynamics associated with proton transfer as described above, it is worthwhile to re-examine the mechanism from the nonadiabatic electron wavepacket dynamics. 

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