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physics.chem-ph2022
Vibrational tunneling spectra of molecules with asymmetric wells: a combined vibrational configuration interaction and instanton approach
Mihael Eraković, Marko T. Cvitaš
A combined approach that uses the vibrational self-consistent field (VSCF) and vibrational configuration interaction (VCI) method together with the semiclassical instanton theory w…
physics.chem-ph2020★ 11 cited
Tunneling splittings of vibrationally excited states using general instanton paths
Mihael Eraković, Marko T. Cvitaš
A multidimensional semiclassical method for calculating tunneling splittings in vibrationally excited states of molecules using Cartesian coordinates is developed. It is an extensi…