A crossing seam blocks the singlet fission channel in H4 due to electronic quantum geometry, as shown by exact nonadiabatic quantum dynamics simulations.
Ab Initio Molecular Cavity Quantum Electrodynamics Simulations Using Machine Learning Models.Journal of Chemical Theory and Computation2023,19, 2353–2368
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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.