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Atoms embedded in an electron gas: Immersion energies
Open accessAbstract
Energies of atoms, H through Ar, embedded in a homogeneous electron gas are calculated within the density-functional scheme as a function of the electron-gas density. The energy-versus-density curves and the induced densities of states are analyzed and discussed in terms of the interaction properties of an atom with its environment. The low-density limit of the immersion energy is related to the electron-atom scattering length. The results should prove useful in detailed investigations of the recently suggested "quasiatom" or "effective-medium" approaches to chemical binding. The lowest-order estimates of the binding energies of diatomic molecules and chemisorbed atoms are obtained.
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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
Cited by
Semiempirical, Quantum Mechanical Calculation of Hydrogen Embrittlement in Metals
Daw, M. S., & Baskes, M. I. (1983) · Physical Review Letters · doi:10.1103/physrevlett.50.1285 · Cited by 2,712
Abild-Pedersen, F., Greeley, J., Studt, F., Rossmeisl, J., Munter, T. R., Moses, P. G., Skúlason, E., Bligaard, T., & Nørskov, J. K. (2007) · Physical Review Letters · doi:10.1103/physrevlett.99.016105 · Cited by 1,678
The embedded-atom method: a review of theory and applications
Daw, M. S., Foiles, S. M., & Baskes, M. I. (1993) · Materials Science Reports · doi:10.1016/0920-2307(93)90001-u · Cited by 1,644
Levy, M., & Perdew, J. P. (1985) · Physical Review A · doi:10.1103/physreva.32.2010 · Cited by 985
Atomic cluster expansion for accurate and transferable interatomic potentials
Drautz, R. (2019) · Physical Review B · doi:10.1103/physrevb.99.014104 · Cited by 959
Metadata
- Authors
- Puska, M. J., Nieminen, R. M., & Manninen, M.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 1981-09-15
- Volume
- 24
- Issue
- 6
- Pages
- 3037-3047
- ISSN
- 0163-1829 (ISSN-L)
- OpenAlex
- W2068440797
- Cited by
- 376
- References
- 1
- FWCI
- 10.90
- Type
- journal article
- Language
- en
- Open access
- bronze
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- Puska, M. J., Nieminen, R. M., & Manninen, M. (1981). Atoms embedded in an electron gas: Immersion energies. Physical Review B. https://doi.org/10.1103/physrevb.24.3037
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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.
