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Relaxation-limited electronic currents in extended reservoir simulations
Open-system approaches are gaining traction in the simulation of charge transport in nanoscale and molecular electronic devices. In particular, “extended reservoir” simulations, where explicit reservoir degrees of freedom are present, allow for the computation of both real-time and steady-state prop...
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| Publicat a: | J Chem Phys |
|---|---|
| Autors principals: | , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2017
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5718372/ https://ncbi.nlm.nih.gov/pubmed/29031250 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4997022 |
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