Descriptions of local spins in the three-dimensional physical space
This report describes the partitioning of the expectation value of the spin-squared operator <S2> corresponding to an N-electron system in the three-dimensional physical space, according to the Bader and fuzzy atom approaches. Numerical determinations performed in selected open-shell systems a...
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| Autores principales: | Alcoba, D.R., Torre, A., Lain, L., Bochicchio, R.C. |
|---|---|
| Formato: | JOUR |
| Materias: | |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_00092614_v504_n4-6_p236_Alcoba |
| Aporte de: |
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