Repositorio Institucional de la Universidad de Oviedo

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Funding is gratefully acknowledged from the Emerging Fields Initiative “Singlet Fission” of the Friedrich-Alexander-Universität Erlangen-Nürnberg, the German Research Foundation (Grant No. DFG CO-1627/1-1), the Foundation for the Support of the Applied Scientific Research and Technology in Asturias (Grant No. FICYT IDI-2018-000177), the Regional Council for Industry and Employment of the Principality of Asturias, the European Regional Development Fund (ERDF), and the Ministry of Science, Innovation and Universities of Spain (Grant No. PGC2018-095953-B-I00). Generous allocation of computing time by the computing center in Erlangen (RRZE) is gratefully acknowledged. Furthermore, the authors acknowledge support from the state of Baden-Württemberg through bwHPC and the German Research Foundation (DFG) through Grant No. INST 40/467-1 FUGG.