Effective Hamiltonian for nickelate oxides Nd1−xSrxNiO2

The authors combined the Heyd-Scuseria-Ernzerhof hybrid density functional first-principles calculation and the cluster exact diagonalization to study the strongly correlated electronic structures of the nickelate oxides Nd1\ensuremath{-}xSrxNiO2 and derive the effective one-band Hamiltonian model for the superconductivity.