The effect of nuclear dynamics and conical intersections on electronic coherences is investigated employing a two-state, two-mode linear vibronic coupling model. Exact quantum dynamical calculations are performed using the multiconfiguration time-dependent Hartree method. It is found that the presence of a nonadiabatic coupling close to the Franck-Condon point can preserve electronic coherence to some extent. Additionally, the possibility of steering the nuclear wave packets by imprinting a relative phase between the electronic states during the photoionization process is discussed. It is found that the steering of nuclear wave packets is possible given that a coherent electronic wave packet embodying the phase difference passes through a conical intersection. A conical intersection close to the Franck-Condon point is thus a necessary prerequisite for control, providing a clear path towards attochemistry.

中文翻译：

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通过锥形相交和电子相干控制核动力学

核动力学和圆锥形相交对电子相干性的影响是采用两种状态，两种模式的线性振动耦合模型来研究的。精确的量子动力学计算是使用与时间相关的多组态Hartree方法进行的。发现在接近弗兰克-康登点的非绝热耦合的存在可以在某种程度上保持电子相干性。另外，讨论了在光电离过程中通过在电子状态之间施加相对相位来控制核波数据包的可能性。已经发现，考虑到体现相位差的相干电子波包通过圆锥形相交，可以控制核波包。