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physics.chem-ph2023
A step toward density benchmarking -- the energy-relevant "mean field error"
Tim Gould
Since the development of generalized gradient approximations in the 1990s, approximations based on density functional theory have dominated electronic structure theory calculations…
physics.chem-ph2023★ 1 cited
Local density approximation for excited states
Tim Gould, Stefano Pittalis
The ground state of an homogeneous electron gas is a paradigmatic state that has been used to model and predict the electronic structure of matter at equilibrium for nearly a centu…