A crossing seam blocks the singlet fission channel in H4 due to electronic quantum geometry, as shown by exact nonadiabatic quantum dynamics simulations.
Linked Product Approximation to the Global Electronic Overlap Matrix.Journal of Chemical Theory and Computation2025,21, 9249–9258
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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.