Repositorio Institucional de la Universidad de Oviedo

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Generous allocation of computing time at the computing centers in Erlangen (Regionales Rechenzentrum Erlangen), Munich (Leibniz Rechenzentrum der Bayerischen Akademie der Wissenschaften in München) and Jülich (Jülich Supercomputing Center) was gratefully acknowledged. Funding was gratefully acknowledged from the Emerging Fields Initiative (EFI) Singlet Fission” supported form the Friedrich-Alexander Universität Erlangen-Nürnberg, as well as the Natural Sciences and Engineering Research Council of Canada (NSERC), the Cluster for Excellence Engineering of Advanced Materials (EAM),and “Solar Technologies Go Hybrid”—an initiative of the Bavarian State Ministry for Science, Research, and Art. P.B.C. acknowledges financial support from DFG (DFG-CO-167/1-1), the Regional Council for Industry and Employment of the Principality of Asturias, and the European Regional Development Fund (ERDF). The authors acknowledge Dr. Dan Lehnherr for the initial synthesis of TIPS-Pn-Me