A 12D variational computation on CH4·F- reports converged vibrational band origins and tunneling splittings, showing small splittings at low energies, increasing splittings upon excitation, and sizeable heavy-atom tunneling near the barrier.
The corresponding distorted tetrahedral structure is chara cterized by the α (H– C–Hb) = 110
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Full-dimensional (12D) variational vibrational states of CH$_4\cdot$F$^-$: interplay of anharmonicity and tunneling
A 12D variational computation on CH4·F- reports converged vibrational band origins and tunneling splittings, showing small splittings at low energies, increasing splittings upon excitation, and sizeable heavy-atom tunneling near the barrier.