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Energy Landscape of State-Specific Electronic Structure Theory
[Image: see text] State-specific approximations can provide a more accurate representation of challenging electronic excitations by enabling relaxation of the electron density. While state-specific wave functions are known to be local minima or saddle points of the approximate energy, the global str...
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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/PMC9082508/ https://www.ncbi.nlm.nih.gov/pubmed/35179023 http://dx.doi.org/10.1021/acs.jctc.1c01089 |