Thermal Density Functional Theory in Context

  • Aurora Pribram-JonesEmail author
  • 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)


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.


Density Functional Theory Local Density Approximation Degenerate Ground State Thermal Ensemble Single Slater Determinant 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.



We would like to thank the Institute for Pure and Applied Mathematics for organization of Workshop IV: Computational Challenges in Warm Dense Matter and for hosting APJ during the Computational Methods in High Energy Density Physics long program. APJ thanks the U.S. Department of Energy (DE-FG02-97ER25308), SP and KB thank the National Science Foundation (CHE-1112442), and SP and EKUG thank European Community’s FP7, CRONOS project, Grant Agreement No. 280879.


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Copyright information

© Springer International Publishing Switzerland 2014

Authors and Affiliations

  • Aurora Pribram-Jones
    • 1
    Email author
  • 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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