Controlling the N - And S -representability of the second-order reduced density matrix: The doublet-state case
A purification procedure that simultaneously corrects the N - and S -representability main defects of a second-order reduced density matrix (2RDM), second-order hole reduced density matrix (2HRDM), and second-order G matrix is presented here. In this purifying procedure, the generalized unitarily in...
Guardado en:
| Autores principales: | Alcoba, D.R., Valdemoro, C., Tel, L.M., Pérez-Romero, E. |
|---|---|
| Formato: | JOUR |
| Materias: | |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_10502947_v77_n4_p_Alcoba |
| Aporte de: |
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