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- W2078754501 abstract "Abstract The Hilbert space approach to the internal (isoelectronic) hardness and softness kernels is presented at the global and subsystem resolutions. A separation of components due to the intramolecular polarization (P) and external charge transfer (CT) is performed by projections into the complementary subspaces spanned by the P-vectors, eigenvectors of the molecular linear response operator, and the constant CT-vector. The quantities reflecting the P–CT coupling are discussed and explicit transformations between the (P, CT)-resolved perturbations and responses are reported." @default.
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- W2078754501 date "2002-02-01" @default.
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- W2078754501 title "Geometric separation of the polarization and charge transfer components of charge sensitivities of open molecular systems" @default.
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- W2078754501 doi "https://doi.org/10.1016/s0009-2614(01)01425-7" @default.
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