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Correlation energy of diamond
Abstract
The correlation energy of diamond is determined by means of increments obtained in ab initio calculations for localized C-C bond orbitals and for pairs and triples of such bonds. The resulting correlation contribution to the cohesive energy is -0.129 a.u., which is approximately 85% of the experimental value.
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Citations
Cited by
Extending the Power of Quantum Chemistry to Large Systems with the Fragment Molecular Orbital Method
Fedorov, D. G., & Kitaura, K. (2007) · The Journal of Physical Chemistry A · doi:10.1021/jp0716740 · Cited by 567
The Shape of Full Configuration Interaction to Come
Eriksen, J. J. (2021) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.0c03225 · Cited by 66
Metadata
- Authors
- Stoll, H.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 1992-09-15
- Volume
- 46
- Issue
- 11
- Pages
- 6700-6704
- ISSN
- 0163-1829 (ISSN-L)
- 1095-3795
- OpenAlex
- W1973333112
- Cited by
- 395
- References
- 0
- FWCI
- 2.30
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: Correlation energy of diamond. https://app.cochat.ai/papers/10.1103/physrevb.46.6700
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- Stoll, H. (1992). Correlation energy of diamond. Physical Review B. https://doi.org/10.1103/physrevb.46.6700
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
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.
