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Hierarchy Configuration Interaction: Combining Seniority Number and Excitation Degree
[Image: see text] We propose a novel partitioning of the Hilbert space, hierarchy configuration interaction (hCI), where the excitation degree (with respect to a given reference determinant) and the seniority number (i.e., the number of unpaired electrons) are combined in a single hierarchy paramete...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9125689/ https://www.ncbi.nlm.nih.gov/pubmed/35537704 http://dx.doi.org/10.1021/acs.jpclett.2c00730 |