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Exact Conditions in Finite-Temperature Density-Functional Theory

Articolo
Data di Pubblicazione:
2011
Abstract:
Density-functional theory (DFT) for electrons at finite temperature is increasingly important in condensed matter and chemistry. The exact conditions that have proven crucial in constraining and constructing accurate approximations for ground-state DFT are generalized to finite temperature, including the adiabatic connection formula. We discuss consequences for functional construction.
Tipologia CRIS:
01.01 Articolo in rivista
Keywords:
Thermal DFT; DFT; exchange; correlation; temperature; statistical mechanical
Elenco autori:
Pittalis, Stefano
Autori di Ateneo:
PITTALIS STEFANO
Link alla scheda completa:
https://iris.cnr.it/handle/20.500.14243/315163
Pubblicato in:
PHYSICAL REVIEW LETTERS (PRINT)
Journal
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