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• W2065858078 abstract "Periodic unrestricted Hartree - Fock calculations are shown to predict the correct low-temperature magnetic phases of and both cubic and hexagonal forms of . The high-spin insulating nature of MnS is also correctly predicted with local moments close to those derived from neutron scattering factors. MnS in all its forms is shown to be a largely ionic charge transfer system with a predominantly first ionized state." @default.
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• W2065858078 date "1997-08-25" @default.
• W2065858078 modified "2023-10-14" @default.
• W2065858078 title "An<i>ab initio</i>Hartree - Fock study of the magnetic states of the polymorphs of MnS" @default.
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• W2065858078 doi "https://doi.org/10.1088/0953-8984/9/34/005" @default.
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