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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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Bibliografiske detaljer
Main Authors: Panda, Aditya N., Plasser, Felix, Aquino, Adelia J. A., Burghardt, Irene, Lischka, Hans
Format: Artigo
Sprog:Inglês
Udgivet: American Chemical Society 2013
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC3598239/
https://ncbi.nlm.nih.gov/pubmed/23427902
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp400372t
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