Accurate Computation of the Absorption Spectrum of Chlorophyll a with Pair Natural Orbital Coupled Cluster Methods

[Image: see text] The ability to accurately compute low-energy excited states of chlorophylls is critically important for understanding the vital roles they play in light harvesting, energy transfer, and photosynthetic charge separation. The challenge for quantum chemical methods arises both from th...

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Detalles Bibliográficos
Autores principales: Sirohiwal, Abhishek, Berraud-Pache, Romain, Neese, Frank, Izsák, Róbert, Pantazis, Dimitrios A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7584356/
https://www.ncbi.nlm.nih.gov/pubmed/32930590
http://dx.doi.org/10.1021/acs.jpcb.0c05761

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7584356/
https://www.ncbi.nlm.nih.gov/pubmed/32930590
http://dx.doi.org/10.1021/acs.jpcb.0c05761

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