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physics.chem-ph2026
Crossing Seam Blockade
Ruoxi Liu, Xiaotong Zhu, Bing Gu
Electronic degeneracies and near-degeneracies including conical intersections and avoided crossings, typically accompanied by strong vibronic couplings and nonadiabatic transitions…
physics.chem-ph2024
Making peace with random phases: Ab initio conical intersection dynamics in random gauges
Xiaotong Zhu, Bing Gu
Ab initio modeling of conical intersection dynamics is crucial for various photochemical, photophysical, and biological processes. However, adiabatic electronic states obtained fro…