4.8 Article

Exact Conditions in Finite-Temperature Density-Functional Theory

Journal

PHYSICAL REVIEW LETTERS
Volume 107, Issue 16, Pages -

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.107.163001

Keywords

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Funding

  1. Deutsche Forschungsgemeinschaft
  2. European Community [MIF1-CT-2006-040222]
  3. DOE [DE-FG02-05ER46203, DE-FG02-08ER46496]

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Density-functional theory (DFT) for electrons at finite temperature is increasingly important in condensed matter and chemistry. The exact conditions that have proven crucial in constraining and constructing accurate approximations for ground-state DFT are generalized to finite temperature, including the adiabatic connection formula. We discuss consequences for functional construction.

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