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Self-consistent pseudopotential method for localized configurations: Molecules
Open accessAbstract
A method is proposed using pseudopotentials in a self-consistent manner to describe localized configurations such as molecules, surfaces, impurities, vacancies, finite chains of atoms, adsorbates, and solid interfaces. Specific application is made to the ${\mathrm{Si}}_{2}$ molecule. The ${\mathrm{Si}}_{2}$ energy levels and charge densities are calculated with reasonable accuracy using a plane-wave basis sct.
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Citations
Cited by
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
Deslippe, J., Samsonidze, G., Strubbe, D. A., Jain, M., Cohen, M. L., & Louie, S. G. (2012) · Computer Physics Communications · doi:10.1016/j.cpc.2011.12.006 · Cited by 991
Self-citationElectronic structure of a metal-semiconductor interface
Louie, S. G., & Cohen, M. L. (1976) · Physical Review B · doi:10.1103/physrevb.13.2461 · Cited by 476
Self-citationCalcium-Decorated Graphene-Based Nanostructures for Hydrogen Storage
Lee, H., Ihm, J., Cohen, M. L., & Louie, S. G. (2010) · Nano Letters · doi:10.1021/nl902822s · Cited by 364
Self-citation
Metadata
- Authors
- Cohen, M. L., Schlüter, M., Chelikowsky, J. R., & Louie, S. G.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 1975-12-15
- Volume
- 12
- Issue
- 12
- Pages
- 5575-5579
- ISSN
- 0556-2805 (ISSN-L)
- OpenAlex
- W2080236008
- Cited by
- 175
- References
- 0
- FWCI
- 7.37
- Type
- journal article
- Language
- en
- Open access
- green
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- CoChat. (2026). Citation check: Self-consistent pseudopotential method for localized configurations: Molecules. https://app.cochat.ai/papers/10.1103/physrevb.12.5575
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- Cohen, M. L., Schlüter, M., Chelikowsky, J. R., & Louie, S. G. (1975). Self-consistent pseudopotential method for localized configurations: Molecules. Physical Review B. https://doi.org/10.1103/physrevb.12.5575
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
