Low-Lying ππ* States of Heteroaromatic Molecules: A Challenge for Excited State Methods

[Image: see text] The description of low-lying ππ* states of linear acenes by standard electronic structure methods is known to be challenging. Here, we broaden the framework of this problem by considering a set of fused heteroaromatic rings and demonstrate that standard electronic structure methods...

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Detalles Bibliográficos
Autores principales: Prlj, Antonio, Sandoval-Salinas, María Eugenia, Casanova, David, Jacquemin, Denis, Corminboeuf, Clémence
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2016
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5119472/
https://www.ncbi.nlm.nih.gov/pubmed/27144975
http://dx.doi.org/10.1021/acs.jctc.6b00245

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5119472/
https://www.ncbi.nlm.nih.gov/pubmed/27144975
http://dx.doi.org/10.1021/acs.jctc.6b00245

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