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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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|
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