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Configuration mixing in the s-hole states of metal ions

Singh, U Chandra and Sarma, DD and Rao, CNR (1982) Configuration mixing in the s-hole states of metal ions. In: Chemical Physics Letters, 85 (3). pp. 278-282.

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Abstract

Configuration interaction calculation have been carried out on the s-hole states of Mn2+ Fe2+ (both high- and low-spin configurations). Co2+, Ca2+, K+ and Na+ including configurations involving virtual orbitals. The results show good agreement with the multiplet structures found in X-ray photoelectron spectra of these ions.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to Elsevier Science.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 31 Aug 2009 13:24
Last Modified: 19 Sep 2010 05:43
URI: http://eprints.iisc.ernet.in/id/eprint/22680

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