Ionization of HCCI Neutral and Cations by Strong Laser Fields Simulated With Time Dependent Configuration Interaction

Strong field ionization of neutral iodoacetylene (HCCI) can produce a coherent superposition of the X and A cations. This superposition results in charge migration between the CC π orbital and the iodine π-type lone pair which can be monitored by strong field ionization with short, intense probe pul...

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Bibliographic Details
Main Authors: H. Bernhard Schlegel, Paul Hoerner, Wen Li
Format: Article
Language:English
Published: Frontiers Media S.A. 2022-04-01
Series:Frontiers in Chemistry
Subjects:
Online Access:https://www.frontiersin.org/articles/10.3389/fchem.2022.866137/full