Correlation-driven charge migration as an initial step of the dynamics in correlation bands

@article{Despre2022CorrelationdrivenCM,
  title={Correlation-driven charge migration as an initial step of the dynamics in correlation bands},
  author={Victor Despr'e and Alexander I. Kuleff},
  journal={Physical Review A},
  year={2022}
}
We present dynamics calculations showing how electron-correlation-driven charge migration occurring in the correlation band of ionized molecules can lead to a redistribution of the charge increasing the stability of the system. These calculations offer an interpretation of recent experimental results obtained for adenine. We discuss the implications of the mechanism for the development of attochemistry and how it can be understood in the context of the ultrafast, non-adiabatic relaxation taking… 

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Ultrafast dynamics of adenine following XUV ionization

The dynamics of biologically relevant molecules exposed to ionizing radiation contains many facets and spans several orders of magnitude in time and energy. In the extreme ultraviolet (XUV) spectral