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Improved lower bound on the indirect Coulomb energy
Abstract
For a Coulomb system of particles of charge e, it has previously been shown that the indirect part of the repulsive Coulomb energy (exchange plus correlation energy) has a lower bound of the form –Ce2/3∫ρ(x)4/3 dx, where ρ is the single particle charge density. Here we lower the constant C from the 8.52 previously given to 1.68. We also show that the best possible C is greater than 1.23.
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Citations
Cited by
Toward reliable density functional methods without adjustable parameters: The PBE0 model
Adamo, C., & Barone, V. (1999) · The Journal of Chemical Physics · doi:10.1063/1.478522 · Cited by 19,042
Hammer, B., Hansen, L. B., & Nørskov, J. K. (1999) · Physical Review B · doi:10.1103/physrevb.59.7413 · Cited by 8,270
Adamo, C., & Barone, V. (1998) · The Journal of Chemical Physics · doi:10.1063/1.475428 · Cited by 3,436
More accurate generalized gradient approximation for solids
Wu, Z., & Cohen, R. E. (2006) · Physical Review B · doi:10.1103/physrevb.73.235116 · Cited by 2,383
Mardirossian, N., & Head-Gordon, M. (2014) · Physical Chemistry Chemical Physics · doi:10.1039/c3cp54374a · Cited by 986
Metadata
- Authors
- Lieb, E. H., & Oxford, S.
- Venue
- International Journal of Quantum Chemistry
- Publisher
- Wiley
- Published
- 1981-03
- Volume
- 19
- Issue
- 3
- Pages
- 427-439
- ISSN
- 0020-7608 (ISSN-L)
- 1097-461X
- OpenAlex
- W2157418460
- Cited by
- 518
- References
- 0
- FWCI
- 2.87
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: Improved lower bound on the indirect Coulomb energy. https://app.cochat.ai/papers/10.1002/qua.560190306
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- Lieb, E. H., & Oxford, S. (1981). Improved lower bound on the indirect Coulomb energy. International Journal of Quantum Chemistry. https://doi.org/10.1002/qua.560190306
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