Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces Verified PDF

物理科学
全球高被引研究(被引 11,914 次,发表于 2008)。 Popular modern generalized gradient approximations are biased toward the description of free-atom energies. Restoration of the first-principles gradient expansion for exchange over a wide range of density gradients elimi…
Costs 3 points  |  17 downloads  |  2026-07-28  |  Submitted by admin

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