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- W2023795498 abstract "The response of the electron density in a molecule to an arbitrary time-dependent perturbation is discussed using linear response theory. The response is characterized in terms of frequency-dependent polarizabilities (FDPs) of a particular kind, and these may be calculated by means of time-dependent Hartree—Fock (TDHF) theory. Two applications are presented, using a linear polyene (hexatriene) as a simple model system: (i) it is shown how the propagation of signals along the molecule may be discussed using time-correlation functions (Fourier transforms of the FDPs) and (ii) the (electron) dispersion energy between two such molecules has been calculated and found to be thermally significant, besides showing a remarkable geometry dependence." @default.
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- W2023795498 date "1985-08-01" @default.
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- W2023795498 title "Electron density and response theory" @default.
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- W2023795498 doi "https://doi.org/10.1016/0166-1280(85)80167-6" @default.
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