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Electronically Excited States in Poly(p-phenylenevinylene): Vertical Excitations and Torsional Potentials from High-Level Ab Initio Calculations

[Image: see text] Ab initio second-order algebraic diagrammatic construction (ADC(2)) calculations using the resolution of the identity (RI) method have been performed on poly-(p-phenylenevinylene) (PPV) oligomers with chain lengths up to eight phenyl rings. Vertical excitation energies for the four...

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Detalles Bibliográficos
Autores principales:	Panda, Aditya N., Plasser, Felix, Aquino, Adelia J. A., Burghardt, Irene, Lischka, Hans
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2013
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3598239/ https://www.ncbi.nlm.nih.gov/pubmed/23427902 http://dx.doi.org/10.1021/jp400372t

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