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Term rules for simple metal clusters
Hund’s term rules are only valid for isolated atoms, but have no generalization for molecules or clusters of several atoms. We present a benchmark calculation of Al(2) and Al(3), for which we find the high and low-spin ground states (3)Π(u) and [Image: see text], respectively. We show that the relat...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Nature Publishing Group
2015
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4620565/ https://www.ncbi.nlm.nih.gov/pubmed/26497089 http://dx.doi.org/10.1038/srep15760 |