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Learning Electron Densities in the Condensed Phase
[Image: see text] We introduce a local machine-learning method for predicting the electron densities of periodic systems. The framework is based on a numerical, atom-centered auxiliary basis, which enables an accurate expansion of the all-electron density in a form suitable for learning isolated and...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8582255/ https://www.ncbi.nlm.nih.gov/pubmed/34669406 http://dx.doi.org/10.1021/acs.jctc.1c00576 |