1. Computational Laboratory for Hybrid/Organic Photovoltaics (CLHYO), Istituto CNR di Scienze e Tecnologie Chimiche “Giulio Natta” (CNR-SCITEC), Via Elce di Sotto 8, 06123Perugia, Italy
2. Chemistry Department, College of Science, King Saud University, Riyadh11451, Kingdom of Saudi Arabia
3. College of Chemistry, Key Laboratory of Theoretical & Computational Photochemistry of Ministry of Education, Beijing Normal University, Beijing100875, People’s Republic of China
4. Department of Chemistry, Biology and Biotechnology, University of Perugia and UdR INSTM, Via Elce di Sotto 8, 06123Perugia, Italy