Towards attochemistry: Control of nuclear motion through conical intersections and electronic coherences

Abstract

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 multi-configuration time-dependent Hartree method (MCTDH). It is found that the presence of a non-adiabatic coupling close to the Franck-Condon point can preserve electronic coherence to some extent. Additionally, the possibility of steering the nuclear wavepackets by imprinting a relative phase between the electronic states during the photoionization process is discussed. It is found that the steering of nuclear wavepackets is possible given that a coherent electronic wavepacket 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.

arXiv comment12 pages, 3 figures

References in corpus (7)

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• Semiclassical Theory of Coherence and Decoherence
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• Coupled nuclear and electron dynamics in the vicinity of a conical intersection
• Non-adiabatic interaction effects in the spectra of ultralong-range Rydberg molecules
• Ultrafast Molecular Frame Quantum Tomography
• Core-hole Coherent Spectroscopy in Molecules
• A Laboratory Frame Density Matrix for Ultrafast Quantum Molecular Dynamics
• Intermittent decoherence blockade in a chiral ring environment
• Nonadiabatic decay of metastable states on coupled linear potentials
• A grid-based Ehrenfest model to study electron-nuclear processes
• Non-Markovian dynamics of the electronic subsystem in a laser-driven molecule: Characterization and connections with electronic-vibrational entanglement and electronic coherence
• Dynamics of Correlations and Entanglement Generation in Electron-Molecule Inelastic Scattering
• Strictly Non-Adiabatic Quantum Control of the Acetylene Dication Using an Infrared Field