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- W1966591211 abstract "Optical spectra, charge densities, and Mössbauer isomer shift (IS) and quadrupole splitting (QS) parameters are obtained for FeCl4 anions, in the Hartree-Fock-Slater model. These data are compared with experiment, and possibilities of the simple self-consistent-field multiple-scattering approach used are assessed. The relative importance of metal p-d mixing and covalency effects in reducing the effective <r−3 > values is shown. Conventional overlap distortion estimates of IS and QS parameters are found to be unreliable." @default.
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- W1966591211 title "Electronic structure of FeCl4 anions in the Hartree-Fock-Slater model" @default.
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- W1966591211 doi "https://doi.org/10.1063/1.1681455" @default.
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