Abstract
The Fermi contact interaction and spin density distribution in the Mn+2 ion were studied by a spin-polarized Xα calculation, using theoretical and empirical exchange parameters α. Theoretical α values, α t, with different α for different spin, where α t↑ < α t↓ , are necessary to predict Fermi contact terms and spin density distributions of the correct sign and magnitude; the Latter correction to the Xα potential did not improve the fit with the Hartree-Fock and experimental values.
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