A study of the partitioning of the first-order reduced density matrix according to the theory of atoms in molecules
This work describes a simple spatial decomposition of the first-order reduced density matrix corresponding to an N -electron system into first-order density matrices, each of them associated to an atomic domain defined in the theory of atoms in molecules. A study of the representability of the densi...
Guardado en:
| Autores principales: | Alcoba, D.R., Lain, L., Torre, A., Bochicchio, R.C. |
|---|---|
| Formato: | JOUR |
| Materias: | |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_00219606_v123_n14_p_Alcoba |
| Aporte de: |
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