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Benchmarking Aspects of Ab Initio Fragment Models for Accurate Excimer Potential Energy Surfaces
[Image: see text] While Coupled-Cluster methods have been proven to provide an accurate description of excited electronic states, the scaling of the computational costs with the system size limits the degree for which these methods can be applied. In this work different aspects of fragment-based app...
| 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/PMC10694823/ https://www.ncbi.nlm.nih.gov/pubmed/37236166 http://dx.doi.org/10.1021/acs.jctc.3c00104 |