Improved analytical representation of combinations of Fermi-Dirac integrals for finite-temperature density functional calculations
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Publication:1682416
DOI10.1016/j.cpc.2015.03.002zbMath1375.81257arXiv1411.5846OpenAlexW2003611180MaRDI QIDQ1682416
S. B. Trickey, Valentin V. Karasiev, Debajit Chakraborty
Publication date: 30 November 2017
Published in: Computer Physics Communications (Search for Journal in Brave)
Full work available at URL: https://arxiv.org/abs/1411.5846
exchange free energyfinite-temperature density functional theorygradient expansionnoninteracting orbital-free free energy
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Cites Work
- The Padé approximant
- Complete asymptotic expansions of the Fermi–Dirac integrals Fp(η)=1/Γ(p+1)∫∞[εp/(1+eε−η)dε]
- The Fermi-Dirac integrals $$\mathcal{F}_p (\eta ) = (p!)^{ - 1} \int\limits_0^\infty {\varepsilon ^p (e^{\varepsilon - \eta } + 1} )^{ - 1} d\varepsilon $$
- Rational Chebyshev approximations for Fermi-Dirac integrals of orders -1/2, 1/2 and 3/2
- Equations of State of Elements Based on the Generalized Fermi-Thomas Theory
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