DOE OSTI · 2577448
Generalized Spin in the Variance-Based Wave Function Optimization Method within the Doubly Occupied Configuration Interaction Framework
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Alcoba, Diego (ORCID:0000000151651127), Lain, Luis (ORCID:000000027260049X), Torre, Alicia (ORCID:0000000256817074), Ayala, Tomás (ORCID:0009000468671019), Oña, Ofelia (ORCID:0000000224825109), Massaccesi, Gustavo (ORCID:0000000173905255), Peralta, Juan (ORCID:0000000328498472), Melo, Juan (ORCID:0000000294384687). 2024-08-14. Generalized Spin in the Variance-Based Wave Function Optimization Method within the Doubly Occupied Configuration Interaction Framework. https://doi.org/10.1021/acs.jpca.4c02742
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