Are Accelerated and Enhanced Wave Function Methods Accurate to Compute Static Linear and Nonlinear Optical Properties?

[Image: see text] Key components of organic-based electro-optic devices are challenging to design or optimize because they exhibit nonlinear optical responses, which are difficult to model or rationalize. Computational chemistry furnishes the tools to investigate extensive collections of molecules i...

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Detalles Bibliográficos
Autores principales: Naim, Carmelo, Besalú-Sala, Pau, Zaleśny, Robert, Luis, Josep M., Castet, Frédéric, Matito, Eduard
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10061658/
https://www.ncbi.nlm.nih.gov/pubmed/36862983
http://dx.doi.org/10.1021/acs.jctc.2c01212

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10061658/
https://www.ncbi.nlm.nih.gov/pubmed/36862983
http://dx.doi.org/10.1021/acs.jctc.2c01212

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