摘要：

Coupling shakes this couple: Dynamics and the IR absorption spectrum of the protonated water dimer are reported by full-dimensional quantum simulation. Strong couplings between the IR-active proton-transfer motion and low-frequency, large-amplitude torsional modes are clearly identified, and their role in the cluster dynamics is explained. These couplings are responsible for the characteristic doublet at about 1000 cm−1.

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