A full-dimensional ab initio potential energy surface and variational vibrational states for the CH4-Ar van der Waals complex are reported, quantifying the error of reduced-dimensionality models.
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Exact quantum dynamics background of dispersion interactions: case study for CH$_4\cdot$Ar in full (12) dimensions
A full-dimensional ab initio potential energy surface and variational vibrational states for the CH4-Ar van der Waals complex are reported, quantifying the error of reduced-dimensionality models.