Correlation-Driven Charge Migration Triggered by Infrared Multi-Photon Ionization
arXiv:2410.04978 · doi:10.1039/D5SC02374B
Abstract
The possibility of observing correlation-driven charge migration has been a driving force behind theoretical and experimental developments in the field of attosecond molecular science since its inception. Despite significant accomplishments, the unambiguous experimental observation of this quantum beating remains elusive. In this work, we present a method to selectively trigger such dynamics using molecules predicted to exhibit long-lived electron coherence. We show that these dynamics can be selectively triggered using infrared multi-photon ionization and probed using the spacial resolution of X-ray free-electron laser, proposing a promising experimental scheme to study these pivotal dynamics. Additionally, we demonstrate that real-time time-dependent density-functional theory can describe correlation-driven charge migration resulting from a hole mixing structure involving the HOMO of a molecule.
References in corpus (8)
- Impact of the electronic band structure in high-harmonic generation spectra of solids
- Electronic decoherence following photoionization: full quantum-dynamical treatment of the influence of nuclear motion
- Decoherence and Revival in Attosecond Charge Migration Driven by Non-adiabatic Dynamics
- Search for long lasting electronic coherence using on-the-fly ab initio semiclassical dynamics
- The role of symmetric vibrational modes in the dehoherence of correlation-driven charge migration
- Photo-ionization Initiated Differential Ultrafast Charge Migration: Impact of Molecular Symmetries and Tautomeric Forms
- Size effect in correlation-driven charge migration in correlation bands of alkyne chains
- Attosecond Coherent Electron Motion in a Photoionized Aromatic Molecule