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Towards quantitative accuracy in first-principles transport calculations: The GW method applied to alkane/gold junctions
The calculation of the electronic conductance of nanoscale junctions from first principles is a long-standing problem in the field of charge transport. Here we demonstrate excellent agreement with experiments for the transport properties of the gold/alkanediamine benchmark system when electron–elect...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Beilstein-Institut
2011
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3257499/ https://www.ncbi.nlm.nih.gov/pubmed/22259757 http://dx.doi.org/10.3762/bjnano.2.82 |