Theory of spin triplet ground states ind
6 transition metal compounds and the effect of high-energy states on the nature of the ground state |
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Authors: | Dr E König R Schnakig |
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Institution: | (1) Institut für Physikalische Chemie II, Universität Erlangen-Nürnberg, D-8520 Erlangen, Germany |
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Abstract: | The formation of spin triplet, quintet, and singlet ground states within the 3d
6 electron configuration is investigated inD
4h
, andD
3d
symmetries employing irreducible tensor operator methods. Significant differences in the possible ground states are encountered between a complete CI and spin-orbit interaction treatment and an approximate calculation within the cubic5
T
2,1A1,3
T
1, and3
T
2 parents. |
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Keywords: | d
6 configuration Ligand Field Theory |
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