量子化势能面上波包的非线性光学响应
Nonlinear optical response of wave packets on quantized potential energy surfaces
摘要：
我们计算了电子-振动耦合系统中原子核波包的动力学及其非线性光学响应。我们发现，在泵浦-探测光谱中观察到的振动模式的量子化性质，特别是在弱相互作用的电子振动系统，如菁染料分子。将基于调和势模型和分子轨道计算的计算结果与实验结果进行了比较，发现与势能面几何结构有关的材料参数直接取决于时间分辨光谱的精确测量。
英文摘要：
We calculated the dynamics of nuclear wave packets in coupled electron-vibration systems and their nonlinear optical responses. We found that the quantized nature of the vibrational modes is observed in pump-probe spectra particularly in weakly interacting electron-vibration systems such as cyanine dye molecules. Calculated results based on a harmonic potential model and molecular orbital calculations are compared with experimental results, and we also found that the materials parameters regarding with the geometrical structure of potential energy surfaces are directly determined by accurate measurement of time-resolved spectra.
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