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posted on 2024-10-01, 12:08 authored by Lucien Dupuy, Neepa Maitra
a pdf document containing details of several aspects of the work, including how local frames are determined, the comparison and analysis of both the CFA and dyad methods with the 2-body embedding descriptor and our new proposed embedding descriptor, and a detailed analysis of the performance of the CFA and dyad methods near the S$_1$/S$_0$ and S$_2$/S$_1$ conical intersections,

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    Journal of Chemical Physics

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