Eight-Dimensional Wave Packet Dynamics Within the Quantum Transition-State Framework: State-to-State Reactive Scattering for H2 + CH3 ⇆ H + CH4

2020 ◽  
Vol 124 (45) ◽  
pp. 9400-9412
Author(s):  
Bin Zhao ◽  
Uwe Manthe
Keyword(s):  
Wave Packet ◽  
Transition State ◽  
Quantum Transition ◽  
Reactive Scattering ◽  
Wave Packet Dynamics ◽  
Dimensional Wave

Photoisomerization transition state manipulation by entangled two-photon absorption

2021 ◽  
Vol 118 (47) ◽  
pp. e2116868118
Author(s):  
Bing Gu ◽  
Daniel Keefer ◽  
Flavia Aleotti ◽  
Artur Nenov ◽  
Marco Garavelli ◽  
...  
Keyword(s):  
Wave Packet ◽  
Transition State ◽  
Product Yield ◽  
Photochemical Reactions ◽  
Photon Absorption ◽  
Conical Intersection ◽  
Two Photon ◽  
Wave Packet Dynamics ◽  
Photon Excitation ◽  
Two Photon Excitation

We demonstrate how two-photon excitation with quantum light can influence elementary photochemical events. The azobenzene trans → cis isomerization following entangled two-photon excitation is simulated using quantum nuclear wave packet dynamics. Photon entanglement modulates the nuclear wave packets by coherently controlling the transition pathways. The photochemical transition state during passage of the reactive conical intersection in azobenzene photoisomerization is strongly affected with a noticeable alteration of the product yield. Quantum entanglement thus provides a novel control knob for photochemical reactions. The distribution of the vibronic coherences during the conical intersection passage strongly depends on the shape of the initial wave packet created upon quantum light excitation. X-ray signals that can experimentally monitor this coherence are simulated.

Three-dimensional wave packet dynamics of H2+D2 reaction

2011 ◽  
Vol 381 (1-3) ◽  
pp. 72-79 ◽  
Author(s):  
Hongwei Song ◽  
Yunpeng Lu ◽  
Soo-Y. Lee
Keyword(s):  
Wave Packet ◽  
Three Dimensional ◽  
Wave Packet Dynamics ◽  
Dimensional Wave
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