On the electronic structure of Cu(H2O)62
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Kiyoshi Tanaka; Helge Johansen
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Article
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1997
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John Wiley and Sons
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English
⚖ 152 KB
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The electronic structure of the ground state and the doublet excited states due to 3d ª 3d transitions and charge-transfer transitions from ligand to copper of Ž . 2 q Cu H O are investigated by ab initio calculations. The excited states corresponding to 2 6 the 3d ª 3d transitions are calculated to