Non-Universal Behavior in the Ultracold Li + LiNa → Li2 + Na Reaction
50th Annual Meeting of the APS Division of Atomic, Molecular and Optical Physics APS Meeting
Bulletin of the American Physical Society
Quantum reactive scattering calculations for the ultracold Li + LiNa -> Li2 + Na reaction are presented which include both the ground and first excited doublet electronic states. In the interaction region the excited electronic state exhibits a deep potential well that is energetically accessible even in the ultracold regime for Li + LiNa collisions with ground state reactants. A numerically exact full-dimensional time-independent scattering method based on hyperspherical coordinates is used to compute the total, vibrationally, and rotationally resolved non-thermal rate coefficients for collision energies between 1 nK and 0 . 3 K . The non-adiabatic and geometric phase effects associated with the energetically accessible conical intersection between the two electronic states are shown to produce non-universal behavior in the ultracold rate coefficient. The non-adiabatic ultracold rate coefficient is approximately 1.6 times larger than the universal value computed using a single ground state electronic potential energy surface. A significant enhancement or suppression of up to two orders of magnitude is also observed in many of the rotationally resolved rate coefficients due to constructive or destructive quantum interference.
Quantum reactive scattering; Ultracold reaction; Electronic states
Atomic, Molecular and Optical Physics | Physical Sciences and Mathematics | Physics
Non-Universal Behavior in the Ultracold Li + LiNa → Li2 + Na Reaction.
50th Annual Meeting of the APS Division of Atomic, Molecular and Optical Physics APS Meeting, 64(4),
Bulletin of the American Physical Society.