Thermal Density Functional Theory in Context

  • Aurora Pribram-Jones
  • Stefano Pittalis
  • E. K. U. Gross
  • Kieron Burke
Conference paper
Part of the Lecture Notes in Computational Science and Engineering book series (LNCSE, volume 96)

Abstract

This chapter introduces thermal density functional theory, starting from the ground-state theory and assuming a background in quantum mechanics and statistical mechanics. We review the foundations of density functional theory (DFT) by illustrating some of its key reformulations. The basics of DFT for thermal ensembles are explained in this context, as are tools useful for analysis and development of approximations. This review emphasizes thermal DFT’s strengths as a consistent and general framework.

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Copyright information

© Springer International Publishing Switzerland 2014

Authors and Affiliations

  • Aurora Pribram-Jones
    • 1
  • Stefano Pittalis
    • 1
    • 2
  • E. K. U. Gross
    • 3
  • Kieron Burke
    • 1
  1. 1.Department of ChemistryUniversity of CaliforniaIrvineUSA
  2. 2.CNR–Istituto NanoscienzeModenaItaly
  3. 3.Max-Planck-Institut für MikrostrukturphysikHalleGermany

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