Correlation effects in the first-row transition metal atoms and ions:choosing the configurations.

Details Correlation effects in the first-row transition metal atoms and ions:choosing the configurations. Correlation effects in the first-row transition metal atoms and ions:choosing the configurations.

May 1985

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1985jqsrt..33..481g&link_type=abstract

Journal of Quantitative Spectroscopy and Radiative Transfer, vol. 33, issue 5, pp. 481-485

Physics

1

Atomic Processes

Scientific paper

A detailed study of core-valence and core-correlation effects using the configuration interaction approach soon becomes unwieldly due to the large number of configurations needed in the expansion. The author examines 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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