Abstract
A group theoretical method is developed to treat the ground and excited electronic states of multielectronic polynuclear mixed-valence systems of the general form dn-...-dn-dn+1-...-dn+1 and fn-...-fn-fn+1-...-fn+1. Effects arising from electronic degeneracy, spin-orbit interactions and reduced site symmetry are explicitly taken into account. The versatility of the technique is demonstrated by applying it to a series of trimeric mixed-valence clusters.
| Original language | English |
|---|---|
| Pages (from-to) | 53-59 |
| Number of pages | 7 |
| Journal | Chemical Physics Letters |
| Volume | 289 |
| Issue number | 1-2 |
| DOIs | |
| Publication status | Published - 1998 Jun 5 |
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry
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Coropceanu, V. P., & Prassides, K. (1998). Group theoretical classification of electronic states in mixed-valence complexes. Chemical Physics Letters, 289(1-2), 53-59. https://doi.org/10.1016/S0009-2614(98)00298-X