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Variational Optimization of the Second-Order Density Matrix Corresponding to a Seniority-Zero Configuration Interaction Wave Function. [electronic resource] by
- Poelmans, Ward
- Van Raemdonck, Mario
- Verstichel, Brecht
- De Baerdemacker, Stijn
- Torre, Alicia
- Lain, Luis
- Massaccesi, Gustavo E
- Alcoba, Diego R
- Bultinck, Patrick
- Van Neck, Dimitri
Producer: 20160310
In:
Journal of chemical theory and computation vol. 11
Availability: No items available.
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Direct variational determination of the two-electron reduced density matrix for doubly occupied-configuration-interaction wave functions: The influence of three-index N-representability conditions. [electronic resource] by
- Alcoba, Diego R
- Torre, Alicia
- Lain, Luis
- Massaccesi, Gustavo E
- Oña, Ofelia B
- Honoré, Eduardo M
- Poelmans, Ward
- Van Neck, Dimitri
- Bultinck, Patrick
- De Baerdemacker, Stijn
Producer: 20180612
In:
The Journal of chemical physics vol. 148
Availability: No items available.
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