HF trimer: A new full-dimensional potential energy surface and rigorous 12D quantum calculations of vibrational states
Jia Li,
Patricia Vindel Zandbergen,
Jun Li
et al.
Abstract:HF trimer, as the lightest cyclic hydrogen-bonded (HB) trimer, has long been a favorite prototype system for spectroscopic and theoretical investigations of the structure, energetics, and dynamics of hydrogen-bond networks, and the role that nonadditive, three-body interactions play in shaping these properties. Recently, rigorous quantum 12D calculations of the coupled intra- and intermolecular vibrations of this fundamental HB trimer [P.M. Felker and Z. Bačić, J. Chem. Phys. 2023, 158, 234109] were performed,… Show more
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