Cargando…
State-Specific Configuration Interaction for Excited States
[Image: see text] We introduce and benchmark a systematically improvable route for excited-state calculations, labeled state-specific configuration interaction (ΔCI), which is a particular realization of multiconfigurational self-consistent field and multireference configuration interaction. Startin...
| Autores principales: | , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
|
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10134430/ https://www.ncbi.nlm.nih.gov/pubmed/37024102 http://dx.doi.org/10.1021/acs.jctc.3c00057 |