87 citations · 273 across the 9 of their papers we have counts for
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Exact conditions on the temperature dependence of density functionals
Kieron Burke, Justin C. Smith, Paul E. Grabowski +1
Universal exact conditions guided the construction of most ground-state density functional approximations in use today. We derive the relation between the entropy and Mermin free e…
Thermal density functional theory: Time-dependent linear response and approximate functionals from the fluctuation-dissipation theorem
Aurora Pribram-Jones, Paul E. Grabowski, Kieron Burke
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…
Quantum critical benchmark for density functional theory
Paul E. Grabowski, Kieron Burke
Two electrons at the threshold of ionization represent a severe test case for electronic structure theory. A pseudospectral method yields a very accurate density of the two-electro…