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Nuclear Quantum Effects Made Accessible: Local Density Fitting in Multicomponent Methods
[Image: see text] The simulation of nuclear quantum effects (NQEs) is crucial for an accurate description of systems and processes involving light nuclei, such as hydrogen atoms. Within the last years, the importance of those effects has been highlighted for a vast range of systems with tremendous i...
| 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/PMC10687858/ https://www.ncbi.nlm.nih.gov/pubmed/37920900 http://dx.doi.org/10.1021/acs.jctc.3c01055 |