Thermal density functional theory: Time-dependent linear response and approximate functionals from the fluctuation-dissipation theorem
classification
⚛️ physics.chem-ph
quant-ph
keywords
thermaldensityexchange-correlationfunctionaltddfttheoremtheorytime-dependent
read the original 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.
This paper has not been read by Pith yet.
discussion (0)
Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.