Vibrational Tunneling Spectra of Molecules with Asymmetric Wells: A Combined Vibrational Configuration Interaction and Instanton Approach
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DOI: 10.1021/acs.jctc.2c00124
Abstract: A combined approach that uses the vibrational configuration interaction (VCI) and semiclassical instanton theory was developed to study vibrational tunneling spectra of molecules with multiple wells in full dimensionality. The method can be applied to… read more here.
Keywords: instanton; tunneling spectra; vibrational tunneling; configuration interaction ... See more keywords