Density Functional Theory for Steady-State Nonequilibrium Molecular Junctions

We present a density functional theory (DFT) for steady-state nonequilibrium quantum systems such as molecular junctions under a finite bias. Based on the steady-state nonequilibrium statistics that maps nonequilibrium to an effective equilibrium, we show that ground-state DFT (GS-DFT) is not applic...

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Detalles Bibliográficos
Autores principales: Liu, Shuanglong, Nurbawono, Argo, Zhang, Chun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2015
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4608000/
https://www.ncbi.nlm.nih.gov/pubmed/26472080
http://dx.doi.org/10.1038/srep15386

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4608000/
https://www.ncbi.nlm.nih.gov/pubmed/26472080
http://dx.doi.org/10.1038/srep15386

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