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Machine Learning Seams of Conical Intersection: A Characteristic Polynomial Approach
[Image: see text] The machine learning of potential energy surfaces (PESs) has undergone rapid progress in recent years. The vast majority of this work, however, has been focused on the learning of ground state PESs. To reliably extend machine learning protocols to excited state PESs, the occurrence...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10494228/ https://www.ncbi.nlm.nih.gov/pubmed/37615964 http://dx.doi.org/10.1021/acs.jpclett.3c01649 |