The DOI matches its Crossref record; 3 of the 3 references it cites were found in a registry or an index.
Dielectric properties and excitons for extended systems from hybrid functionals
Abstract
We have calculated static and dynamic response properties for several semiconducting and insulating solids using hybrid functionals, which admix a small fraction of nonlocal Fock exchange to an otherwise semilocal density functional. The calculated static and dynamic properties are clearly improved compared to conventional semilocal density functionals; in particular the oscillator strength at low energy excitations is well described.
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Citations
Cites
A new mixing of Hartree–Fock and local density-functional theories
Becke, A. D. (1993) · The Journal of Chemical Physics · doi:10.1063/1.464304 · Cited by 16,515
Density-Functional Theory for Time-Dependent Systems
Runge, E., & Gross, E. K. U. (1984) · Physical Review Letters · doi:10.1103/physrevlett.52.997 · Cited by 8,914
Electronic excitations: density-functional versus many-body Green’s-function approaches
Onida, G., Reining, L., & Rubio, A. (2002) · Reviews of Modern Physics · doi:10.1103/revmodphys.74.601 · Cited by 4,155
Cited by
First-principles calculations for point defects in solids
Freysoldt, C., Grabowski, B., Hickel, T., Neugebauer, J., Kresse, G., Janotti, A., & Van de Walle, C. G. (2014) · Reviews of Modern Physics · doi:10.1103/revmodphys.86.253 · Cited by 3,037
Self-citationBand-structure, optical properties, and defect physics of the photovoltaic semiconductor SnS
Vidal, J., Lany, S., d’Avezac, M., Zunger, A., Zakutayev, A., Francis, J., & Tate, J. (2012) · Applied Physics Letters · doi:10.1063/1.3675880 · Cited by 477
Cu2ZnSnS4as a potential photovoltaic material: A hybrid Hartree-Fock density functional theory study
Paier, J., Asahi, R., Nagoya, A., & Kresse, G. (2009) · Physical Review B · doi:10.1103/physrevb.79.115126 · Cited by 441
Self-citationDensity-based mixing parameter for hybrid functionals
Marques, M. A. L., Vidal, J., Oliveira, M. J. T., Reining, L., & Botti, S. (2011) · Physical Review B · doi:10.1103/physrevb.83.035119 · Cited by 405
Tuning of the electronic and optical properties of single-layer black phosphorus by strain
Çakır, D., Sahin, H., & Peeters, F. M. (2014) · Physical Review B · doi:10.1103/physrevb.90.205421 · Cited by 342
Metadata
- Authors
- Paier, J., Marsman, M., & Kresse, G.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 2008-09-15
- Volume
- 78
- Issue
- 12
- ISSN
- 1098-0121 (ISSN-L)
- 1550-235X
- OpenAlex
- W2079560921
- Cited by
- 336
- References
- 3
- FWCI
- 7.93
- Type
- journal article
- Language
- en
- Open access
- closed
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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