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Topologically Correct Quantum Nonadiabatic Formalism for On-the-Fly Dynamics
Joubert-Doriol, Loïc, Sivasubramanium, Janakan, Ryabinkin, Ilya G., Izmaylov, Artur F.Volume:
8
Language:
english
Journal:
The Journal of Physical Chemistry Letters
DOI:
10.1021/acs.jpclett.6b02660
Date:
January, 2017
File:
PDF, 1.17 MB
english, 2017