Variational Optimization of the Second-Order Density Matrix Corresponding to a Seniority-Zero Configuration Interaction Wave Function
We perform a direct variational determination of the second-order (two-particle) density matrix corresponding to a many-electron system, under a restricted set of the two-index N-representability P-, Q-, and G-conditions. In addition, we impose a set of necessary constraints that the two-particle de...
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| Autores principales: | Poelmans, W., Van Raemdonck, M., Verstichel, B., De Baerdemacker, S., Torre, A., Lain, L., Massaccesi, G.E., Alcoba, D.R., Bultinck, P., Van Neck, D. |
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| Formato: | JOUR |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_15499618_v11_n9_p4064_Poelmans |
| Aporte de: |
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