title: Communication: non-adiabatic coupling and resonances in the F + H2 reaction at low energies.
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.
authors.affiliation: LOMC - Université du Havre, 25 Rue Philippe Lebon, BP 540 - 76 058 Le Havre Cedex, France. francois.lique@univ-lehavre.fr
authors.forename: François
authors.initials: F
authors.lastname: Lique
authors.forename: Guoliang
authors.initials: G
authors.lastname: Li
authors.forename: Hans-Joachim
authors.initials: HJ
authors.lastname: Werner
authors.forename: Millard H
authors.initials: MH
authors.lastname: Alexander