High precision calculation of odd iron-group systems with orthogonal operators

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Published under licence by IOP Publishing Ltd
, , Citation P H M Uylings and A J J Raassen 1996 Phys. Scr. 54 505 DOI 10.1088/0031-8949/54/5/010

1402-4896/54/5/505

Abstract

A parametric description of the 3dN4p configurations in the IV to VI spectra of the iron sequence with orthogonal operators is reported. Compared to earlier calculations, deviations between calculated eigenvalues and experimental energies are reduced by an order of magnitude and approach experimental errors bars. The claim that the fits are physically meaningful is supported by the regular behaviour of the parameters among neighbouring ions and associated 3dN cores, as well as by comparison with ab initio calculated values.

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10.1088/0031-8949/54/5/010