Correlation effects in the first-row transition metal atoms and ions: Choosing the configurations |
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| Authors: | R Glass |
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| Institution: | Department of Physical and Inorganic Chemistry, University of Western Australia, Nedlands, Western Australia, 6009 |
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| Abstract: | A detailed study of core-valence and core-correlation effects using the configuration interaction approach soon becomes unwieldly due to the large number of configuration needed in the expansion. We examine the possibility of reducing the number of vector-coupled configurational functions in the configuration interaction expansion, formed from different coupling schemes, by coupling the orbital functions in a different order. |
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