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Electronic Properties of Hexagonal Graphene Quantum Rings from TAO-DFT
The reliable prediction of electronic properties associated with graphene nanosystems can be challenging for conventional electronic structure methods, such as Kohn–Sham (KS) density functional theory (DFT), due to the presence of strong static correlation effects in these systems. To address this c...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9694783/ https://www.ncbi.nlm.nih.gov/pubmed/36432229 http://dx.doi.org/10.3390/nano12223943 |