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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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| Veröffentlicht in: | Sci Rep |
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| Hauptverfasser: | , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
Nature Publishing Group
2015
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4608000/ https://ncbi.nlm.nih.gov/pubmed/26472080 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep15386 |
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