Multistate coupled diabatic neural network potential for the quantum non-adiabatic photofragmentation of CH 2 +

Physical Chemistry Chemical Physics 2026 Open access

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Authors: Pablo del Mazo‐Sevillano, Susana Gómez Carrasco, Alfredo Aguado, Octavio Roncero

DOI: 10.1039/d6cp01221c

Cited by: 1

References: 53

Abstract

Minimum energy paths of the eight lowest diabatic (bottom) and adiabatic (top) A′ and A″ electronic states of CH 2 + for non-adiabatic dynamics.

Advanced Chemical Physics Studies Machine Learning in Materials Science Spectroscopy and Quantum Chemical Studies

References 53