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.
CITATION STYLE
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
Mendeley helps you to discover research relevant for your work.