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Within the context of very simple avoided crossing, we investigate theinvestigate the effect of a complex diabatic coupling in determiningspin-dependent rate constants and scattering states. We find that, if themolecular geometry is not linear and the Berry force is not zero, one can findsignificant spin polarization of the products. This study emphasizes that, whenanalyzing nonadiabatic reactions with spin orbit coupling (and a complexHamiltonian), one must consider how Berry force affects nuclear motion -- atleast in the context of gas phase reactions. Work is currently ongoing as faras extrapolating these conclusions to the condensed phase where interestingspin selection has been observed in recent years.

the journal of physical chemistry. a/the journal of physical chemistry. a.

Chemical Reaction Rates for Systems with Spin-Orbit Coupling and an Odd  Number of Electrons: Does Berry's Phase Lead to Meaningful Spin-Dependent  Nuclear Dynamics for a Two State Crossing?