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Nickel oxide magnetic properties

Within the periodic Hartree-Fock approach it is possible to incorporate many of the variants that we have discussed, such as LFHF or RHF. Density functional theory can also be used. I his makes it possible to compare the results obtained from these variants. Whilst density functional theory is more widely used for solid-state applications, there are certain types of problem that are currently more amenable to the Hartree-Fock method. Of particular ii. Icvance here are systems containing unpaired electrons, two recent examples being the clci tronic and magnetic properties of nickel oxide and alkaline earth oxides doped with alkali metal ions (Li in CaO) [Dovesi et al. 2000]. [Pg.165]

M. Lo lacono, M. Schiavello, and A. Cimino, Structural, magnetic and optical properties of nickel oxide supported on tj- and y-aluminas, J. Phys. Chem. 75, 1044-1050 (1971). [Pg.217]

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