A crossing seam blocks the singlet fission channel in H4 due to electronic quantum geometry, as shown by exact nonadiabatic quantum dynamics simulations.
Nonadiabatic Conical Intersection Dynamics in the Local Diabatic Representation with Strang Splitting and Fourier Basis.Journal of Chemical Theory and Computation2024,20, 2711–2718
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Crossing Seam Blockade
A crossing seam blocks the singlet fission channel in H4 due to electronic quantum geometry, as shown by exact nonadiabatic quantum dynamics simulations.