UF: Improved analytical representation of combinations of Fermi–Dirac integrals for finite-temperature density functional calculations

UF: Improved analytical representation of combinations of Fermi–Dirac integrals for finite-temperature density functional calculations

UF: Improved analytical representation of combinations of Fermi–Dirac integrals for finite-temperature density functional calculations

Abstract: Smooth, highly accurate analytical representations of Fermi–Dirac (FD) integral combinations important
in free-energy density functional calculations are presented. Specific forms include those that occur in the
local density approximation (LDA), generalized gradient approximation (GGA), and fourth-order gradient
expansion of the non-interacting free energy as well as in the LDA and second-order gradient expansion
for exchange.

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