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• W1996502021 abstract "Core-electron-removal energies representing both main-line and satellite features in core-level x-ray photoelectron spectra are calculated for ${mathrm{FeCl}}_{2}$ with use of a self-consistent embedded-cluster model. Energies are obtained by using the Slater transition-state scheme in both relativistic and nonrelativistic versions of a moment-polarized discrete variational method code. In the model calculations, spectral peaks correspond to energy differences between the ground state and ``well-screened'' or ``poorly-screened'' final states. The study includes considerations of exchange, basis set, effects associated with finite cluster size (e.g., cluster charge), and the correspondence between relaxation and excitation processes. Observed main-line and satellite spectra are successfully calculated, provided that the core hole is treated self-consistently, both with respect to the Hamiltonian and with respect to the choice of variational basis." @default.
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• W1996502021 date "1985-10-15" @default.
• W1996502021 modified "2023-09-26" @default.
• W1996502021 title "Molecular-cluster study of core-level x-ray photoelectron spectra: Application to<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>FeCl</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>" @default.
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• W1996502021 doi "https://doi.org/10.1103/physrevb.32.5391" @default.
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