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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Detalles Bibliográficos
Autores principales: Mordovina, Uliana, Reinhard, Teresa E., Theophilou, Iris, Appel, Heiko, Rubio, Angel
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
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

Internet

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

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