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Bootstrap Embedding for Molecules
[Image: see text] Fragment embedding is one way to circumvent the high computational scaling of accurate electron correlation methods. The challenge of applying fragment embedding to molecular systems primarily lies in the strong entanglement and correlation that prevent accurate fragmentation acros...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6727622/ https://www.ncbi.nlm.nih.gov/pubmed/31343878 http://dx.doi.org/10.1021/acs.jctc.9b00529 |