Comment on "A single level tunneling model for molecular junctions: evaluating the simulation methods" by Opodi et al
Fuente:
arXiv
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| Formato: | Preprint |
| Publicado: |
2023
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| _version_ | 1866910323295911936 |
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| author | Baldea, Ioan |
| author_facet | Baldea, Ioan |
| contents | The present Comment demonstrates important flaws of the paper Phys. Chem. Chem. Phys. 2022, 24, 11958 by Opodi~\emph{et al.} Their crown result (``applicability map'') aims at indicating parameter ranges wherein two approximate methods (called method 2 and 3) apply. My calculations reveal that the applicability map is a factual error. Deviations of $I_2$ from the exact current $I_1$ do not exceed 3\% for model parameters where Opodi~\emph{et al.} claimed that method 2 is inapplicable. As for method 3, the parameter range of the applicability map is beyond its scope, as stated in papers cited by Opodi~\emph{et al.}~themselves. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2302_08832 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | Comment on "A single level tunneling model for molecular junctions: evaluating the simulation methods" by Opodi et al Baldea, Ioan Mesoscale and Nanoscale Physics Chemical Physics Computational Physics The present Comment demonstrates important flaws of the paper Phys. Chem. Chem. Phys. 2022, 24, 11958 by Opodi~\emph{et al.} Their crown result (``applicability map'') aims at indicating parameter ranges wherein two approximate methods (called method 2 and 3) apply. My calculations reveal that the applicability map is a factual error. Deviations of $I_2$ from the exact current $I_1$ do not exceed 3\% for model parameters where Opodi~\emph{et al.} claimed that method 2 is inapplicable. As for method 3, the parameter range of the applicability map is beyond its scope, as stated in papers cited by Opodi~\emph{et al.}~themselves. |
| title | Comment on "A single level tunneling model for molecular junctions: evaluating the simulation methods" by Opodi et al |
| topic | Mesoscale and Nanoscale Physics Chemical Physics Computational Physics |
| url | https://arxiv.org/abs/2302.08832 |