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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...
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| Veröffentlicht in: | J Chem Theory Comput |
|---|---|
| Hauptverfasser: | , , , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
American
Chemical Society
2019
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| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6785802/ https://ncbi.nlm.nih.gov/pubmed/31490684 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.9b00063 |
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