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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Toward Polyatomic Wave Packet Decomposition: Final State Effects
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Toward Polyatomic Wave Packet Decomposition: Final State Effects

机译：走向多原子波包分解：最终状态效应

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摘要

We present numerical studies of femtosecond time-resolved probes of coupled wave packed dynamics in model polyatomic systems. Of specific interest is the possibility of using the structure and symmetry of the final states accessed by the probe field to discern vibrational energy flow. Simple wave packets can often exhibit classical localization, thus facilitating a mechanistic, trajectory-like picture of the quantum dynamics. This feature, however, does not necessarily survive in complex multidimensional problems due to differing quantum mechanical dephasing rates in different degrees of freedom. To recover a classical-like picture of energy flow between cupled vibration modes, we introduce a final-state-resolved measure of wave packed dynamics, a low-frequency band-pass filter of the signal, which is specifically sensitive to intermode energy flow.
机译：我们目前在模型多原子系统中耦合波包装动力学的飞秒时间分辨探针的数值研究。特别令人感兴趣的是，有可能使用由探测场访问的最终状态的结构和对称性来识别振动能流。简单的波包通常可以表现出经典的局域性，从而有助于对量子动力学进行机械化，类似轨迹的描绘。然而，由于在不同的自由度下量子力学的相移速率不同，该特征不一定能在复杂的多维问题中幸存。为了恢复杯状振动模式之间能量流的经典图像，我们引入了一种最终状态分辨的波动压缩动力学测量，即信号的低频带通滤波器，它对模间能量流特别敏感。

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