A fully automated neural network diabatization technique constructs coupled multistate potentials that enable quantum wavepacket simulations of CH2+ photofragmentation, revealing a high cross-section for CH radical formation.
Köppel, Conical Intersections: electronic structure, dynamics and spectroscopy, Advanced series in Physi- cal Chemistry, World Scientific Publishing Co.
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Multistate Coupled Diabatic Neural Network potential for the quantum non-adiabatic Photofragmentation of CH$_2^+$
A fully automated neural network diabatization technique constructs coupled multistate potentials that enable quantum wavepacket simulations of CH2+ photofragmentation, revealing a high cross-section for CH radical formation.