posted on 2025-10-28, 12:05authored byKossi Kety, Jesús González-Vázquez, Piero Decleva, Jorge Delgado, Alicia Palacios, Fernando Martin, Daniel Peláez, Fabien Gatti, Raluca Cireasa, Loic Joubert-Doriol, Alexander Mitrushchenkov
The supporting material includes the description of the "tree" in the ML-MCTDH calculations, the comparison of the purity and root mean square displacement of atoms for the
linear and quadratic vibronic coupling Hamiltonian models, the list of geometries leading to
the migration paths, the description of the Wigner distribution, and the ionization energies
of the first channels of the glycine molecule.