Benchmark-quality rovibrational data are reported for the methane dimer from variational nuclear motion computations using an intermolecular potential energy surface reported by [M. P. Metz , , 2019, , 13504-13525]. A simple polarizability model is used to compute Raman transition moments that may be relevant for future direct observation of the intermolecular dynamics. Non-negligible Δ ≠ 0 transition moments arise in this symmetric top system due to strong rovibrational couplings.
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| http://dx.doi.org/10.1039/d3cp06222h | DOI Listing |
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