Airy-averaged gradient corrections for two-dimensional fermion gases

DOI10.1016/J.AOP.2017.07.020MaRDI QIDQ2409875zbMATH OpenOpenAlexWikidataFDO

Authors Martin-Isbjörn Trappe, Yink~Loong Len, Hui Khoon Ng, Berthold-Georg Englert

Publication date 16 October 2017

Published in Annals of Physics (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/1612.04048

zbMATH Keywords

fermion gasesgradient correctionskinetic energy functionalorbital-free density-functional theorysemiclassical expansionssingle-particle density

Mathematics Subject Classification ID

Semiclassical techniques, including WKB and Maslov methods applied to problems in quantum theory (81Q20) Phase-space methods including Wigner distributions, etc. applied to problems in quantum mechanics (81S30) Quantum equilibrium statistical mechanics (general) (82B10)

Abstract: Building on the discussion in PRA 93, 042510 (2016), we present a systematic derivation of gradient corrections to the kinetic-energy functional and the one-particle density, in particular for two-dimensional systems. We derive the leading gradient corrections from a semiclassical expansion based on Wigner's phase space formalism and demonstrate that the semiclassical kinetic-energy density functional at zero temperature cannot be evaluated unambiguously. In contrast, a density-potential functional description that effectively incorporates interactions provides unambiguous gradient corrections. Employing an averaging procedure that involves Airy functions, thereby partially resumming higher-order gradient corrections, we facilitate a smooth transition of the particle density into the classically forbidden region of arbitrary smooth potentials. We find excellent agreement of the semiclassical Airy-averaged particle densities with the exact densities for very low but finite temperatures, illustrated for a Fermi gas with harmonic potential energy. We furthermore provide criteria for the applicability of the semiclassical expansions at low temperatures. Finally, we derive a well-behaved ground-state kinetic-energy functional, which improves on the Thomas-Fermi approximation.

Recommendations

• Kirzhnits gradient expansion for aD-dimensional Fermi gas
• The Single-Particle Kinetic Energy of Many-Fermion Systems: Transcending the Thomas-Fermi plus Von Weizsäcker Method
• On the divergence of gradient expansions for kinetic energy functionals in the potential functional theory
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Cited in

(4)

• On the divergence of gradient expansions for kinetic energy functionals in the potential functional theory
• The role of the von Weizsäcker kinetic energy gradient term in independent harmonically confined fermions for arbitrary two-dimensional closed-shell occupancy
• Kirzhnits gradient expansion for aD-dimensional Fermi gas
• Airy gas model: from three to reduced dimensions

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