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most citedClimbing the Density Functional Ladder: Non-Empirical Meta-Generalized Gradient Approximation Designed for Molecules and Solids

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physics.chem-ph2017★ 52 cited

Improved method for generating exchange-correlation potentials from electronic wave functions

Egor Ospadov, Ilya G. Ryabinkin, Viktor N. Staroverov

Ryabinkin, Kohut, and Staroverov (RKS) [Phys. Rev. Lett. 115, 083001 (2015)] devised an iterative method for reducing many-electron wave functions to Kohn-Sham exchange-correlation…