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Energy expressions for atomic configurations in the L-S coupling scheme

Dinesha, KV and Iyer, Suman B and Vishveshwara, Saraswathi (1986) Energy expressions for atomic configurations in the L-S coupling scheme. In: International Journal of Quantum Chemistry, 30 (6). pp. 783-790.

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The matrix elements of the spin-free Hamiltonian between two atomic configuration state functions (CSF'S) in the L-S coupling scheme are expressed in terms of the atomic integrals Fk's and Gk's. Using these general expressions, the matrix elements have been obtained for all the atomic configurations with three valence electrons that have not been solved so far by earlier methods. The scope for applying this new approach to obtain the Auger line energies and the promotion energies of metals that involve more than two partially filled shells is indicated. The energy expressions for some of the relevant configurations are tabulated.

Item Type: Journal Article
Publication: International Journal of Quantum Chemistry
Additional Information: The copyright belongs to John Wiley & Sons, Inc.
Department/Centre: Division of Biological Sciences > Molecular Biophysics Unit
Date Deposited: 08 Nov 2005
Last Modified: 27 Aug 2008 11:32
URI: http://eprints.iisc.ac.in/id/eprint/3958

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