• Electronic Hamiltonian and antiferromagnetic interactions in La2CuO4 

    Annett, James F.; Martin, Richard M.; McMahan, A. K.; Satpathy, Sashi Sekhar, 1956- (American Physical Society, 1989)
    A many-body Hamiltonian for La2CuO4 with ab initio parameters is solved numerically using embedded-cluster approximations. The results give an antiferromagnetic insulator with a 2-3 eV energy gap, consistent with spectroscopic ...