Vibrational Tunneling Spectra of Molecules with Asymmetric Wells: A Combined Vibrational Configuration Interaction and Instanton Approach

[Image: see text] 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 calculate low-lying vibrationa...

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Detalles Bibliográficos
Autores principales: Eraković, Mihael, Cvitaš, Marko T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9097297/
https://www.ncbi.nlm.nih.gov/pubmed/35439012
http://dx.doi.org/10.1021/acs.jctc.2c00124

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9097297/
https://www.ncbi.nlm.nih.gov/pubmed/35439012
http://dx.doi.org/10.1021/acs.jctc.2c00124

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