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Self-Consistent Density-Functional Embedding: A Novel Approach for Density-Functional Approximations
[Image: see text] In the present work, we introduce a self-consistent density-functional embedding technique, which leaves the realm of standard energy-functional approaches in density functional theory and targets directly the density-to-potential mapping that lies at its heart. Inspired by the den...
| 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/PMC6785802/ https://www.ncbi.nlm.nih.gov/pubmed/31490684 http://dx.doi.org/10.1021/acs.jctc.9b00063 |