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Systematic Investigation of the Reliability of the Frozen Nuclei Approximation for Short-Pulse Excitation: The Example of HCCI(+)
In this work we quantitatively study the reliability of the frozen nuclei approximation for ultrafast dynamics. Specifically we study laser excitation of HCCI(+) from its ground state to the first electronically excited state. The population of the first excited state is obtained by both the frozen...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Frontiers Media S.A.
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8966390/ https://www.ncbi.nlm.nih.gov/pubmed/35372267 http://dx.doi.org/10.3389/fchem.2022.857348 |