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

Published 2015 View Full Article

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Title
Improved analytical representation of combinations of Fermi–Dirac integrals for finite-temperature density functional calculations
Authors
Keywords
Finite-temperature DFT, Non-interacting orbital-free free-energy, Exchange free-energy, Gradient expansion
Journal
COMPUTER PHYSICS COMMUNICATIONS
Volume 192, Issue -, Pages 114-123
Publisher
Elsevier BV
Online
2015-03-10
DOI
10.1016/j.cpc.2015.03.002

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