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HAL-INSA Toulouse
Article . 2025
Data sources: HAL-INSA Toulouse
The Journal of Chemical Physics
Article . 2025 . Peer-reviewed
Data sources: Crossref
https://dx.doi.org/10.48550/ar...
Article . 2025
License: arXiv Non-Exclusive Distribution
Data sources: Datacite
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Excited states of the uniform electron gas

Authors: Loos, Pierre-François;

Excited states of the uniform electron gas

Abstract

The uniform electron gas (UEG) is a cornerstone of density-functional theory (DFT) and the foundation of the local-density approximation, 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. In addition, 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.

Country
France
Keywords

Chemical Physics (physics.chem-ph), Condensed Matter - Materials Science, Nuclear Theory, Strongly Correlated Electrons (cond-mat.str-el), Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, Mathematical Physics (math-ph), Nuclear Theory (nucl-th), [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, Condensed Matter - Strongly Correlated Electrons, Physics - Chemical Physics, [PHYS.COND] Physics [physics]/Condensed Matter [cond-mat], Mathematical Physics

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    popularity
    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
    Top 10%
    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
3
Top 10%
Average
Average
Green