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With the combination of the optimal control theory and MCTDH method, optimal controlling of multi-dimensional multi-state molecule such as pyrazine is realized. The quantum dynamics of this molecule under the excitation of optimal pulse is simulated. On the basis of the simulation of two-state multi-dimensional system, we consider the two excited states as target states, and the effect of target state on the quantum dynamics is discussed.
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Keywords:
- optimal control /
- MCTDH method /
- quantum dynamics
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