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Approximate calculation of the matrix elements of Coulomb and exchange operators for the “core” electrons of the atoms In through Xe

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Summary

Following a previously described method which approximates the Coulomb and exchange integrals in valence-electron-only SCF calculations, the necessary parameters for the atoms from In to Xe are reported.

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Montagnani, R., Salvetti, O. Approximate calculation of the matrix elements of Coulomb and exchange operators for the “core” electrons of the atoms In through Xe. Theoret. Chim. Acta 76, 1–5 (1989). https://doi.org/10.1007/BF00526335

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  • DOI: https://doi.org/10.1007/BF00526335

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