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- W1990577869 abstract "We have applied the ab initio density functional theory (DFT) based on generalized spin orbital (GSO) for tetrahedral manganese clusters with a noncollinear spin structure. It was found that three-dimensional (3D) spin states become clearly ground-states by all of GSO-localized spin density approximation, GSO-generalized gradient approximation, and GSO-hybrid methods for tetrahedral Mn(II)4O4. These results are consistent with the experimental results." @default.
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- W1990577869 date "2003-07-01" @default.
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- W1990577869 title "Density functional study of tetrahedral manganese clusters" @default.
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- W1990577869 doi "https://doi.org/10.1016/s0277-5387(03)00168-2" @default.
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