Methane dimer rovibrational states and Raman transition moments

Autor: Daría, Alberto Martín Santa, Avila, Gustavo, Mátyus, Edit
Rok vydání: 2023
Předmět:
Druh dokumentu: Working Paper
DOI: 10.1039/D3CP06222H
Popis: Benchmark-quality rovibrational data are reported for the methane dimer from variational nuclear motion computations using an ab initio intermolecular potential energy surface reported by [M. P. Metz et al., Phys. Chem. Chem. Phys., 2019, 21, 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 $\Delta K\neq 0$ transition moments arise in this symmetric top system due to strong rovibrational couplings.
Databáze: arXiv