The double exciton state of conjugated chromophores with strong diradical character: insights from TDDFT calculations
Author:
Affiliation:
1. Università di Bologna
2. Dipartimento di Chimica ‘G. Ciamician’
3. 40126 Bologna
4. Italy
5. INSTM
6. Department of Physical Chemistry
7. University of Málaga
8. Andalucia-Tech
9. 29071 Málaga
10. Spain
Abstract
We show that, for large diradical character and strong orbital localization, the double exciton state is captured by TDUB3LYP calculations.
Funder
Ministerio de Economía y Competitividad
Università di Bologna
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP04008G
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