Thermal density functional theory in context

Aurora Pribram-Jones, Stefano Pittalis, E. Gross, Kieron Burke

Research output: Contribution to journalArticlepeer-review

48 Scopus citations

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.

Original languageAmerican English
Pages (from-to)25-60
Number of pages36
JournalLecture Notes in Computational Science and Engineering
Volume96
DOIs
StatePublished - 2014
Externally publishedYes

Bibliographical note

Publisher Copyright:
© Springer International Publishing Switzerland 2014.

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