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physics.chem-ph2019★ 49 cited
Range-separated multideterminant density-functional theory with a short-range correlation functional of the on-top pair density
Anthony Ferté, Emmanuel Giner, Julien Toulouse
We introduce an approximation to the short-range correlation energy functional with multide-terminantal reference involved in a variant of range-separated density-functional theory…
physics.chem-ph2018
Curing basis-set convergence of wave-function theory using density-functional theory: a systematically improvable approach
Emmanuel Giner, Barthélémy Pradines, Anthony Ferté +3
The present work proposes to use density-functional theory (DFT) to correct for the basis-set error of wave-function theory (WFT). One of the key ideas developed here is to define…