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Excited States of the Uniform Electron Gas

Chemical Physics 2025-05-26 v3 Materials Science Strongly Correlated Electrons Mathematical Physics math.MP Nuclear Theory

Abstract

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.

Keywords

Cite

@article{arxiv.2502.02378,
  title  = {Excited States of the Uniform Electron Gas},
  author = {Pierre-François Loos},
  journal= {arXiv preprint arXiv:2502.02378},
  year   = {2025}
}

Comments

7 pages, 4 figures