Improved Lieb–Oxford bound on the indirect and exchange energies
Lewin M, Lieb EH, Seiringer R. 2022. Improved Lieb–Oxford bound on the indirect and exchange energies. Letters in Mathematical Physics. 112(5), 92.
Download (ext.)
Journal Article
| Published
| English
Scopus indexed
Author
Lewin, Mathieu;
Lieb, Elliott H.;
Seiringer, RobertISTA 
Department
Abstract
The Lieb–Oxford inequality provides a lower bound on the Coulomb energy of a classical system of N identical charges only in terms of their one-particle density. We prove here a new estimate on the best constant in this inequality. Numerical evaluation provides the value 1.58, which is a significant improvement to the previously known value 1.64. The best constant has recently been shown to be larger than 1.44. In a second part, we prove that the constant can be reduced to 1.25 when the inequality is restricted to Hartree–Fock states. This is the first proof that the exchange term is always much lower than the full indirect Coulomb energy.
Publishing Year
Date Published
2022-09-15
Journal Title
Letters in Mathematical Physics
Publisher
Springer Nature
Acknowledgement
We would like to thank David Gontier for useful advice on the numerical simulations. This project has received funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (Grant Agreements MDFT No. 725528 of M.L. and AQUAMS No. 694227 of R.S.). We are thankful for the hospitality of the Institut Henri Poincaré in Paris, where part of this work was done.
Volume
112
Issue
5
Article Number
92
ISSN
eISSN
IST-REx-ID
Cite this
Lewin M, Lieb EH, Seiringer R. Improved Lieb–Oxford bound on the indirect and exchange energies. Letters in Mathematical Physics. 2022;112(5). doi:10.1007/s11005-022-01584-5
Lewin, M., Lieb, E. H., & Seiringer, R. (2022). Improved Lieb–Oxford bound on the indirect and exchange energies. Letters in Mathematical Physics. Springer Nature. https://doi.org/10.1007/s11005-022-01584-5
Lewin, Mathieu, Elliott H. Lieb, and Robert Seiringer. “Improved Lieb–Oxford Bound on the Indirect and Exchange Energies.” Letters in Mathematical Physics. Springer Nature, 2022. https://doi.org/10.1007/s11005-022-01584-5.
M. Lewin, E. H. Lieb, and R. Seiringer, “Improved Lieb–Oxford bound on the indirect and exchange energies,” Letters in Mathematical Physics, vol. 112, no. 5. Springer Nature, 2022.
Lewin M, Lieb EH, Seiringer R. 2022. Improved Lieb–Oxford bound on the indirect and exchange energies. Letters in Mathematical Physics. 112(5), 92.
Lewin, Mathieu, et al. “Improved Lieb–Oxford Bound on the Indirect and Exchange Energies.” Letters in Mathematical Physics, vol. 112, no. 5, 92, Springer Nature, 2022, doi:10.1007/s11005-022-01584-5.
All files available under the following license(s):
Copyright Statement:
This Item is protected by copyright and/or related rights. [...]
Link(s) to Main File(s)
Access Level
Open Access
Export
Marked PublicationsOpen Data ISTA Research Explorer
Web of Science
View record in Web of Science®Sources
arXiv 2203.12473
Google Scholar