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Reproducing Deep Tunneling Splittings, Resonances, and Quantum Frequencies in Vibrational Spectra From a Handful of Direct Ab Initio Semiclassical Trajectories
Conte, Riccardo, Aspuru-Guzik, Alán, Ceotto, MicheleVolume:
4
Language:
english
Journal:
The Journal of Physical Chemistry Letters
DOI:
10.1021/jz401603f
Date:
October, 2013
File:
PDF, 682 KB
english, 2013