Abstract
A non-adiabatic quantum dynamics methodology based on a time-independent coupled-channel approach is applied to the fully symmetric H + H2(v=4-8,j=0) → H + H2(v′,j′) reaction for the first time. A two-state diabatic representation is used which includes the effects of the geometric phase (GP) and other non-adiabatic couplings. Ultracold rate coefficients are reported as a function of collision energy between 1μK and 100K. A second set of adiabatic calculations are also performed both with and without the GP. The results for v>4 are reported here for the first time and a new experimentally detectable signature of the GP is discovered associated with the dramatic appearance of an l=1 shape resonance near 1K in the total rate coefficient for v=6 which is absent for v=4 and 5.
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