Publication | Open Access
Exact Conditions in Finite-Temperature Density-Functional Theory
100
Citations
21
References
2011
Year
EngineeringComputational ChemistryChemistryFunctional AnalysisElectronic StructureFinite-temperature Density-functional TheoryQuantum MaterialsThermodynamicsQuantum SciencePhysicsQuantum SolidQuantum ChemistryAb-initio MethodGeneralized FunctionNatural SciencesCondensed Matter PhysicsApplied PhysicsDensity-functional TheoryFunctional ConstructionDisordered Quantum SystemFinite Temperature
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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