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LCAO Calculations on Uranium Nitrides

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Quantum Chemistry of Solids

Part of the book series: Springer Series in Solid-State Sciences ((SSSOL,volume 153))

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Abstract

The pseudopotentials constructed in relativistic calculations for free atoms (relativistic core pseudopotentials—RCP) are used in the scalar-relativistic calculations of molecules and crystals, on the assumption that RCP rather accurately reflects one-electron states and properties of a system.

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  1. St. Petersburg State University Chemistry Department, Stary Peterghof University, Petersburg, Russia

    Dr. Robert A. Evarestov

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Evarestov, R.A. (2012). LCAO Calculations on Uranium Nitrides. In: Quantum Chemistry of Solids. Springer Series in Solid-State Sciences, vol 153. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-30356-2_12

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  • DOI: https://doi.org/10.1007/978-3-642-30356-2_12

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