104 citations · 205 across the 5 of their papers we have counts for
5 papers
Thermal stitching: Extending the reach of quantum fermion solvers
Justin Clifford Smith, Kieron Burke
For quantum fermion problems, many accurate solvers are limited by the temperature regime in which they can be usefully applied. The Mermin theorem implies the uniqueness of an eff…
Warming Up Density Functional Theory
Justin C. Smith, Francisca Sagredo, Kieron Burke
Density functional theory (DFT) has become the most popular approach to electronic structure across disciplines, especially in material and chemical sciences. Last year, at least 3…
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…
Exact thermal density functional theory for a model system: Correlation components and accuracy of the zero-temperature exchange-correlation approximation
Justin C Smith, Aurora Pribram-Jones, Kieron Burke
Thermal density functional theory calculations often use the Mermin-Kohn-Sham scheme, but employ ground-state approximations to the exchange-correlation (XC) free energy. In the si…
The Hubbard Dimer: A density functional case study of a many-body problem
Diego Carrascal, Jaime Ferrer, Justin C. Smith +1
This review explains the relationship between density functional theory and strongly correlated models using the simplest possible example, the two-site Hubbard model. The relation…