Thermal density functional theory in context

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

doi:10.1007/978-3-319-04912-0__2

Thermal density functional theory in context

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

Research output: Contribution to journal › Article › peer-review

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 language	English
Pages (from-to)	25-60
Number of pages	36
Journal	Lecture Notes in Computational Science and Engineering
Volume	96
DOIs	https://doi.org/10.1007/978-3-319-04912-0__2
State	Published - 2014
Externally published	Yes

All Science Journal Classification (ASJC) codes

Modelling and Simulation
General Engineering
Discrete Mathematics and Combinatorics
Control and Optimization
Computational Mathematics

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10.1007/978-3-319-04912-0__2

Cite this

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author = "Aurora Pribram-Jones and Stefano Pittalis and E. Gross and Kieron Burke",

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AU - Gross, E.

AU - Burke, Kieron

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AB - 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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M3 - مقالة

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VL - 96

SP - 25

EP - 60

JO - Lecture Notes in Computational Science and Engineering

JF - Lecture Notes in Computational Science and Engineering

ER -

Thermal density functional theory in context

Abstract

All Science Journal Classification (ASJC) codes

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