Cargando…
Kinetic Correlation Functionals from the Entropic Regularization of the Strictly Correlated Electrons Problem
[Image: see text] In this work, we study the entropic regularization of the strictly correlated electrons formalism, discussing the implications for density functional theory and establishing a link with earlier works on quantum kinetic energy and classical entropy. We carry out a very preliminary i...
| Autores principales: | , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2019
|
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6964418/ https://www.ncbi.nlm.nih.gov/pubmed/31855421 http://dx.doi.org/10.1021/acs.jctc.9b01133 |