Thermal Density Functional Theory in Context
Chemical Physics
2014-06-02 v1 Statistical Mechanics
Quantum Physics
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. We close by discussing some key ideas relating thermal DFT and the ground state. This review emphasizes thermal DFT's strengths as a consistent and general framework.
Keywords
Cite
@article{arxiv.1309.3043,
title = {Thermal Density Functional Theory in Context},
author = {Aurora Pribram-Jones and Stefano Pittalis and E. K. U. Gross and Kieron Burke},
journal= {arXiv preprint arXiv:1309.3043},
year = {2014}
}
Comments
Submitted to Spring Verlag as chapter in "Computational Challenges in Warm Dense Matter", F. Graziani et al. eds