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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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| Main Authors: | , |
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| Format: | Artigo |
| Language: | Inglês |
| Published: |
American Institute of Physics
2013
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| 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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