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Measuring Electron Correlation: The Impact of Symmetry and Orbital Transformations
[Image: see text] In this perspective, the various measures of electron correlation used in wave function theory, density functional theory and quantum information theory are briefly reviewed. We then focus on a more traditional metric based on dominant weights in the full configuration solution and...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10210250/ https://www.ncbi.nlm.nih.gov/pubmed/37022051 http://dx.doi.org/10.1021/acs.jctc.3c00122 |