A hybrid theory which combines the full nonlocal ``exact'' exchange interaction with the local spin-density approximation of density-functional theory is shown to lead to marked improvement in the description of antiferromagnetically coupled systems. Semiquantitative agreement with experiment is found for the magnitude of the coupling constant in La₂CuO₄, KNiF₃, and K₂NiF₄. The magnitude of the unpaired spin population on the metal site is in excellent agreement with experiment for La₂CuO₄.
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Martin et al. (1997) studied this question.
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