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Updated: May 31, 2026

Measurement of Ultrafast Vibrational Coherences in Polyatomic Radical Cations with Strong-Field Adiabatic Ionization
Published on: August 6, 2018
Communication: non-adiabatic coupling and resonances in the F + H2 reaction at low energies
François Lique1, Guoliang Li, Hans-Joachim Werner
1LOMC - Université du Havre, 25 Rue Philippe Lebon, BP 540 - 76 058 Le Havre Cedex, France. francois.lique@univ-lehavre.fr
Abstract:
Quantum reactive scattering calculations on accurate potential energy surfaces predict that at energies below ∼5 meV, the reaction of F atoms with H(2) is dominated by the Born-Oppenheimer (BO) forbidden reaction of the spin-orbit excited F((2)P(1∕2)) atom. This non-BO dominance is amplified by low-energy resonances corresponding to quasi-bound states of the HF(v = 3, j = 3) + H product channel. Neglect of non-adiabatic coupling between the electronic states of the F atom leads to a qualitatively incorrect picture of the reaction dynamics at low energy.
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