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- W1973042299 abstract "The importance of including all of Hund’s rules in self-consistent electronic-structure calculations in solids is pointed out. We present a scheme that accounts for the interactions that lead to these rules, and we give examples of when these interactions become important. Calculated ground state properties (chemical bonding, magnetic moment, magnetic form factor) of actinide and rare earth systems are found to agree better with experiment when all Hund’s rules are accounted for. On the other hand, but also in agreement with experiment, we find that Hund’s second and third rule contributions for Fe, Co, and Ni are small." @default.
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- W1973042299 date "1991-04-15" @default.
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- W1973042299 title "Magnetism and bonding in light actinide and rare earth systems (invited)" @default.
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- W1973042299 doi "https://doi.org/10.1063/1.347865" @default.
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