Exact conditions in finite-temperature density-functional theory

S. Pittalis*, C. R. Proetto, A. Floris, A. Sanna, C. Bersier, K. Burke, E. K.U. Gross

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

73 Scopus citations

Abstract

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.

Original languageAmerican English
Article number163001
JournalPhysical Review Letters
Volume107
Issue number16
DOIs
StatePublished - 12 Oct 2011
Externally publishedYes

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