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Excited States from State-Specific Orbital-Optimized Pair Coupled Cluster
[Image: see text] The pair coupled cluster doubles (pCCD) method (where the excitation manifold is restricted to electron pairs) has a series of interesting features. Among others, it provides ground-state energies very close to what is obtained with doubly occupied configuration interaction (DOCI),...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8359009/ https://www.ncbi.nlm.nih.gov/pubmed/34310140 http://dx.doi.org/10.1021/acs.jctc.1c00348 |