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- W1972316705 abstract "A totally nonempirical relativistic cluster calculation of transition-metal ${L}_{2,3}$-edge x-ray-absorption near-edge structure including configuration interaction has been performed. A remarkable predictive power of this calculation has been demonstrated for three contrasting materials with different d-electron numbers and different coordination numbers $({mathrm{SrTiO}}_{3},$ NiO, and ${mathrm{CaF}}_{2})$ by excellent reproduction of both the absolute peak energies and their relative intensities without any empirical parameters." @default.
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- W1972316705 date "2001-08-27" @default.
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- W1972316705 title "Relativistic cluster calculation of ligand-field multiplet effects on cation<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi>L</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn><mml:mo>,</mml:mo><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math><i>x</i>-ray-absorption edges of<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>SrTiO</mml:mi></…" @default.
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- W1972316705 doi "https://doi.org/10.1103/physrevb.64.115413" @default.
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