LCAO Calculations on Uranium Nitrides

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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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Evarestov, R. A. (2012). LCAO Calculations on Uranium Nitrides. In Springer Series in Solid-State Sciences (Vol. 153, pp. 603–630). Springer Science and Business Media Deutschland GmbH. https://doi.org/10.1007/978-3-642-30356-2_12

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