
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.
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
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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