Ultra-fast laser pulses as a probe of electron dynamics: a next generation QTAIM perspective

Huan He, Xiao Peng Mi, Xinjie Zhou, Genwei Hong, Tianlv Xu, Herbert Früchtl, Tanja van Mourik, Martin J. Paterson, Steven R. Kirk*, Samantha Jenkins*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

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We investigate the construction of an ultra-fast laser probe to determine the response of the electron dynamics of ethane using next generation QTAIM (NG-QTAIM). This is undertaken by applying a pair of simulated left and right circularly polarized ultra-fast laser pulses of duration 10 fs. A proportional increase in the C-C BCP bond strain with peak electric field was discovered. NG-QTAIM was used to identify a characteristic morphology associated with ultra-fast laser probes. Candidate ultra-fast laser probes were selected on the basis of the ground state population remaining undisturbed at a time t = 15 fs.
Original languageEnglish
Article number141018
JournalChemical Physics Letters
Early online date8 Dec 2023
Publication statusPublished - 16 Jan 2024


  • Ultra-fast laser
  • Ethane
  • Laser probe
  • Circularly polarized laser


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