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Differential Shannon Entropies Characterizing Electron–Nuclear Dynamics and Correlation: Momentum-Space Versus Coordinate-Space Wave Packet Motion
We calculate differential Shannon entropies derived from time-dependent coordinate-space and momentum-space probability densities. This is performed for a prototype system of a coupled electron–nuclear motion. Two situations are considered, where one is a Born–Oppenheimer adiabatic dynamics, and the...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10378028/ https://www.ncbi.nlm.nih.gov/pubmed/37509917 http://dx.doi.org/10.3390/e25070970 |