The DOI matches its Crossref record; 2 of the 2 references it cites were found in a registry or an index.
Self-Interaction Errors in Density-Functional Calculations of Electronic Transport
Open accessAbstract
All density-functional calculations of single-molecule transport to date have used continuous exchange-correlation approximations. The lack of derivative discontinuity in such calculations leads to the erroneous prediction of metallic transport for insulating molecules. A simple and computationally undemanding atomic self-interaction correction (SIC) opens conduction gaps in I-V characteristics that otherwise are predicted metallic, as in the case of the prototype Au/ditholated-benzene/Au junction.
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Citations
Cites
Self-interaction correction to density-functional approximations for many-electron systems
Perdew, J. P., & Zunger, A. (1981) · Physical Review B · doi:10.1103/physrevb.23.5048 · Cited by 20,887
Electronic Transport in Mesoscopic Systems
Datta, S. (1995) · doi:10.1017/cbo9780511805776 · Cited by 7,704
Cited by
Insights into Current Limitations of Density Functional Theory
Cohen, A. J., Mori-Sánchez, P., & Yang, W. (2008) · Science · doi:10.1126/science.1158722 · Cited by 2,527
Molecular transport junctions: vibrational effects
Galperin, M., Ratner, M. A., & Nitzan, A. (2007) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/19/10/103201 · Cited by 771
Rungger, I., & Sanvito, S. (2008) · Physical Review B · doi:10.1103/physrevb.78.035407 · Cited by 316
Self-citation
Metadata
- Authors
- Toher, C., Filippetti, A., Sanvito, S., & Burke, K.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2005-09-29
- Volume
- 95
- Issue
- 14
- Pages
- 146402-146402
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2119715145
- Cited by
- 317
- References
- 2
- FWCI
- 27.01
- Type
- journal article
- Language
- en
- Open access
- green
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