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Body-ordered approximations of atomic properties
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Thomas, Jack, Chen, Huajie and Ortner, Christoph (2022) Body-ordered approximations of atomic properties. Archive for Rational Mechanics and Analysis, 246 . pp. 1-60. doi:10.1007/s00205-022-01809-w ISSN 1432-0673.
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Official URL: https://doi.org/10.1007/s00205-022-01809-w
Abstract
We show that the local density of states (LDOS) of a wide class of tight-binding models has a weak body-order expansion. Specifically, we prove that the resulting body-order expansion for analytic observables such as the electron density or the energy has an exponential rate of convergence both at finite Fermi-temperature as well as for insulators at zero Fermi-temperature. We discuss potential consequences of this observation for modelling the potential energy landscape, as well as for solving the electronic structure problem.
| Item Type: | Journal Article | ||||||||
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| Subjects: | Q Science > QA Mathematics Q Science > QC Physics |
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| Divisions: | Faculty of Science, Engineering and Medicine > Science > Mathematics | ||||||||
| SWORD Depositor: | Library Publications Router | ||||||||
| Library of Congress Subject Headings (LCSH): | Approximation theory, Atomic structure -- Mathematical models, Quantum theory -- Mathematical models | ||||||||
| Journal or Publication Title: | Archive for Rational Mechanics and Analysis | ||||||||
| Publisher: | Springer Science and Business Media LLC | ||||||||
| ISSN: | 1432-0673 | ||||||||
| Official Date: | October 2022 | ||||||||
| Dates: |
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| Volume: | 246 | ||||||||
| Page Range: | pp. 1-60 | ||||||||
| DOI: | 10.1007/s00205-022-01809-w | ||||||||
| Status: | Peer Reviewed | ||||||||
| Publication Status: | Published | ||||||||
| Reuse Statement (publisher, data, author rights): | ** Article version: VoR ** From Crossref journal articles via Jisc Publications Router ** History: epub 06-08-2022; issued 06-08-2022. ** Licence for VoR version of this article starting on 06-08-2022: https://creativecommons.org/licenses/by/4.0 | ||||||||
| Access rights to Published version: | Open Access (Creative Commons) | ||||||||
| Date of first compliant deposit: | 15 August 2022 | ||||||||
| Date of first compliant Open Access: | 15 August 2022 | ||||||||
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