The DOI matches its Crossref record; 45 of the 45 references it cites were found in a registry or an index.
Self-interaction-corrected pseudopotential scheme for magnetic and strongly-correlated systems
Open accessAbstract
Local-spin-density-functional (LSDA) calculations may be affected by severe errors when applied to the study of magnetic and strongly correlated materials. Some of these faults can be traced back to the presence of the spurious self-interaction in the density functional. Since the application of a fully self-consistent self-interaction correction is highly demanding even for moderately large systems, we pursue a strategy of approximating the self-interaction-corrected potential with a nonlocal, pseudopotentiallike projector, first generated within the isolated atom and then updated during the self-consistent cycle in the crystal. This scheme, whose implementation is totally uncomplicated and particularly suited for the pseudopotental formalism, dramatically improves the LSDA results for a variety of compounds with a minimal increase of computing cost.
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Cites
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Cited by
Lany, S., & Zunger, A. (2008) · Physical Review B · doi:10.1103/physrevb.78.235104 · Cited by 1,257
The origin of ferroelectricity in magnetoelectric YMnO3
Van Aken, B. B., Palstra, T. T. M., Filippetti, A., & Spaldin, N. A. (2004) · Nature Materials · doi:10.1038/nmat1080 · Cited by 1,247
Self-citationApproximation to density functional theory for the calculation of band gaps of semiconductors
Ferreira, L. G., Marques, M., & Teles, L. K. (2008) · Physical Review B · doi:10.1103/physrevb.78.125116 · Cited by 526
Self-Interaction Errors in Density-Functional Calculations of Electronic Transport
Toher, C., Filippetti, A., Sanvito, S., & Burke, K. (2005) · Physical Review Letters · doi:10.1103/physrevlett.95.146402 · Cited by 317
Self-citation
Metadata
- Authors
- Filippetti, A., & Spaldin, N. A.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 2003-03-14
- Volume
- 67
- Issue
- 12
- ISSN
- 0163-1829 (ISSN-L)
- 1095-3795
- OpenAlex
- W2025870448
- Cited by
- 260
- References
- 45
- FWCI
- 9.07
- Type
- journal article
- Language
- en
- Open access
- green
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