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- W2088402079 abstract "The local density approximation is used to construct a model for the reactivity parameters defined in density functional theory. Starting from a model for the hardness kernel, equations are derived to compute the softness kernel, local softness and local hardness, global softness and global hardness, the Fukui function and also the electric dipole polarizability. A very simple functional is used to test the equations in some atomic systems. The results are promising. Extensions and applications of the model are discussed." @default.
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- W2088402079 date "1995-10-15" @default.
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- W2088402079 title "A local model for the hardness kernel and related reactivity parameters in density functional theory" @default.
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- W2088402079 doi "https://doi.org/10.1063/1.470384" @default.
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