Cargando…
Linear Weak Scalability of Density Functional Theory Calculations without Imposing Electron Localization
[Image: see text] Linear scaling density functional theory (DFT) approaches to the electronic structure of materials are often based on the tendency of electrons to localize in large atomic and molecular systems. However, in many cases of actual interest, such as semiconductor nanocrystals, system s...
| Autores principales: | , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
|
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9009081/ https://www.ncbi.nlm.nih.gov/pubmed/35343234 http://dx.doi.org/10.1021/acs.jctc.1c00829 |