1. Computational Laboratory for Hybrid/Organic Photovoltaics (CLHYO), CNR‐ISTM Via Elce di Sotto 8 06123 Perugia Italy
2. D3‐CompuNet Istituto Italiano di Tecnologia Via Morego 30 16163 Genova Italy
3. Department of Chemistry Biology and Biotechnology University of Perugia Via Elce di Sotto, 8 06123 Perugia Italy