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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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| Publicado no: | J Chem Phys |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2017
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| Assuntos: | |
| Acesso em linha: | 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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