Solving the GP93 inverse problem yields a semilocal exchange factor with hydrogenic exactness and a -1/r tail that, when switched by kinetic-energy and Laplacian indicators, recovers Rydberg-like bound states in s-shell atoms where PBE and SCAN bind none.
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Charge self-consistent eDMFT with uniform U=6 eV for metals and U=10 eV for insulators yields spectral functions in excellent agreement with photoemission experiments across ABO3 compounds (A=Ca,Sr,La; B=V-Ni).
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Semilocal exchange functionals from the exact-exchange condition for the hydrogen atom: Hydrogenic exactness and recovery of Rydberg-like bound states
Solving the GP93 inverse problem yields a semilocal exchange factor with hydrogenic exactness and a -1/r tail that, when switched by kinetic-energy and Laplacian indicators, recovers Rydberg-like bound states in s-shell atoms where PBE and SCAN bind none.
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Systematic dynamical mean-field theory study of 3d perovskite oxides with uniform Coulomb interactions
Charge self-consistent eDMFT with uniform U=6 eV for metals and U=10 eV for insulators yields spectral functions in excellent agreement with photoemission experiments across ABO3 compounds (A=Ca,Sr,La; B=V-Ni).