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Published in 2022 at "Journal of Chemical Theory and Computation"
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…
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Keywords:
instanton;
tunneling spectra;
vibrational tunneling;
configuration interaction ... See more keywords
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Published in 2018 at "JETP Letters"
DOI: 10.1134/s0021364018190050
Abstract: A model of tunneling multiresonant electronic transitions in nanocontacts containing ultrasmall nanoparticles with adsorbed atoms has been developed. Mechanisms of the formation of series of equidistant negative differential resistances in tunneling spectra of these structures…
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Keywords:
ultrasmall nanoparticles;
equidistant negative;
tunneling spectra;
nature equidistant ... See more keywords