Transfer-trained MACE potentials reproduce XMCQDPT2-level excited-state surfaces for CH2NH2+, and a fitted geometric-survival model extracts state-specific lifetimes from the simulated dynamics.
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XMCQDPT2-Fidelity Transfer-Learning Potentials and a Wavepacket Oscillation Model with Power-Law Decay for Ultrafast Photodynamics
Transfer-trained MACE potentials reproduce XMCQDPT2-level excited-state surfaces for CH2NH2+, and a fitted geometric-survival model extracts state-specific lifetimes from the simulated dynamics.