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...

Descripción completa

Detalles Bibliográficos
Autores principales: Izsák, Róbert, Ivanov, Aleksei V., Blunt, Nick S., Holzmann, Nicole, Neese, Frank
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
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

Internet

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

Ejemplares similares