Excited States of the Uniform Electron Gas
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arXiv
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| Format: | Preprint |
| Published: |
2025
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| _version_ | 1866913854135468032 |
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| author | Loos, Pierre-François |
| author_facet | Loos, Pierre-François |
| contents | The uniform electron gas (UEG) is a cornerstone of density-functional theory (DFT) and the foundation of the local-density approximation (LDA), one of the most successful approximations in DFT. In this work, we extend the concept of UEG by introducing excited-state UEGs, systems characterized by a gap at the Fermi surface created by the excitation of electrons near the Fermi level. We report closed-form expressions of the reduced kinetic and exchange energies of these excited-state UEGs as functions of the density and the gap. Additionally, we derive the leading term of the correlation energy in the high-density limit. By incorporating an additional variable representing the degree of excitation into the UEG paradigm, the present work introduces a new framework for constructing local and semi-local state-specific functionals for excited states. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2502_02378 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Excited States of the Uniform Electron Gas Loos, Pierre-François Chemical Physics Materials Science Strongly Correlated Electrons Mathematical Physics Nuclear Theory The uniform electron gas (UEG) is a cornerstone of density-functional theory (DFT) and the foundation of the local-density approximation (LDA), one of the most successful approximations in DFT. In this work, we extend the concept of UEG by introducing excited-state UEGs, systems characterized by a gap at the Fermi surface created by the excitation of electrons near the Fermi level. We report closed-form expressions of the reduced kinetic and exchange energies of these excited-state UEGs as functions of the density and the gap. Additionally, we derive the leading term of the correlation energy in the high-density limit. By incorporating an additional variable representing the degree of excitation into the UEG paradigm, the present work introduces a new framework for constructing local and semi-local state-specific functionals for excited states. |
| title | Excited States of the Uniform Electron Gas |
| topic | Chemical Physics Materials Science Strongly Correlated Electrons Mathematical Physics Nuclear Theory |
| url | https://arxiv.org/abs/2502.02378 |