Exact conditions in finite-temperature density-functional theory

Pittalis, S., Proetto, C. R., Floris, A. , Sanna, A., Bersier, C., Burke, K. and Gross, E. K. U. (2011) Exact conditions in finite-temperature density-functional theory. Physical Review Letters, 107 (16). ISSN 0031-9007

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Item Type:Article
Item Status:Live Archive


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.

Subjects:F Physical Sciences > F321 Solid state Physics
Divisions:College of Science > School of Mathematics and Physics
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ID Code:22795
Deposited On:05 Jun 2016 21:16

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