Exact Conditions in Finite-Temperature Density-Functional Theory

ORAL

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 [1]. We discuss consequences for functional construction. \\[4pt] [1] S. Pittalis, C. R. Proetto, A. Floris, A. Sanna, C. Bersier, K. Burke, and E. K. U. Gross, Phys. Rev. Lett, 107, 163001 (2011)

*This work was supported by the Deutsche Forschungsgemeinschaft. C.R.P. was supported by a Marie Curie IIF (Grant No. MIF1-CT-2006-040222). S.P. was support by DOE Grant No. DE-FG02-05ER46203. K.B. was supported by DOE Grant No. DE-FG02-08ER46496.

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Authors

  • S. Pittalis

    • Department of Physics and Astronomy, University of Missouri, Columbia, Missouri 65211, USA

  • C.R. Proetto

    • Centro Atomico Bariloche and Instituto Balseiro, 8400 S. C. de Bariloche, Argentina

  • A. Floris

    • Department of Physics, King's College London, London, Strand WC2R 2LS, United Kingdom

  • A. Sanna

    • Max-Planck-Institut fuer Mikrostrukturphysik, Weinberg 2, D-06120 Halle, Germany

  • C. Bersier

    • Max-Planck-Institut fuer Mikrostrukturphysik, Weinberg 2, D-06120 Halle, Germany

  • K. Burke

    • Department of Chemistry, University of California, Irvine, CA 92697, USA

  • E.K.U. Gross

    • Max-Planck-Institut fuer Mikrostrukturphysik, Weinberg 2, D-06120 Halle, Germany