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Open Quantum Systems Decoherence
Quantum Chemistry
Thermal density functional theory: Time-dependent linear response and approximate functionals from the fluctuation-dissipation theorem
arXiv
Authors: Aurora Pribram-Jones, Paul E. Grabowski, Kieron Burke
Year
2015
Paper ID
27317
Status
Preprint
Abstract Read
~2 min
Abstract Words
49
Citations
N/A
Abstract
The van Leeuwen proof of linear-response time-dependent density functional theory (TDDFT) is generalized to thermal ensembles. This allows generalization to finite temperatures of the Gross-Kohn relation, the exchange-correlation kernel of TDDFT, and fluctuation dissipation theorem for DFT. This produces a natural method for generating new thermal exchange-correlation (XC) approximations.
Why This Paper Matters
- This paper contributes to the Quantum Chemistry research area in the Quantum Articles archive.
- It adds a 2015 reference point for readers tracking recent quantum research.
- The van Leeuwen proof of linear-response time-dependent density functional theory (TDDFT) is generalized to thermal ensembles.
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