Configuration Interaction in Two‐ and Three‐Electron Atoms
نویسندگان
چکیده
منابع مشابه
Full Configuration Interaction and Multiconfigurational Spin Density in Boron and Carbon Atoms
The reliability of spin polarization method results for atomic spin densities, obtained with several widely used Gaussian basis sets, is examined by comparison with the results of full configuration interaction (FCI) calculations. The spin densities obtained with these basis sets using the spin polarizationmodel and some other methods disagree with the FCI treatment. Since the FCI wave function...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 1966
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.1727483