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Size Effect in Correlation-Driven Charge Migration in Correlation Bands of Alkyne Chains

Enguerran Belles1, Franck Rabilloud1, Alexander I Kuleff2

  • 1Université de Lyon, Université Claude Bernard Lyon 1, CNRS, Institut Lumière Matière, UMR5306, Villeurbanne F-69622, France.

The Journal of Physical Chemistry. A
|December 27, 2023
PubMed
Summary

Charge migration in alkyne chains was studied using ab initio simulations. Scaling laws were found for charge migration time and correlation band density of states, enabling predictions for larger systems.

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