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An optimized semiclassical approximation for vibrational response functions

The observables of multidimensional infrared spectroscopy may be calculated from nonlinear vibrational response functions. Fully quantum dynamical calculations of vibrational response functions are generally impractical, while completely classical calculations are qualitatively incorrect at long tim...

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Bibliographic Details
Main Authors: Gerace, Mallory, Loring, Roger F.
Format: Artigo
Language:Inglês
Published: American Institute of Physics 2013
Subjects:
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC3625239/
https://ncbi.nlm.nih.gov/pubmed/23556706
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4795941
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