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...

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Detalles Bibliográficos
Autores principales: Chen, Chi-Chun, Chai, Jeng-Da
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9694783/
https://www.ncbi.nlm.nih.gov/pubmed/36432229
http://dx.doi.org/10.3390/nano12223943

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