1. Key Laboratory of Organic Optoelectronics & Molecular Engineering of the Ministry of Education Department of Chemistry Tsinghua University Beijing 100084 China
2. Beijing Computer Science Research Center Haidian Beijing 100193 China
3. Chemical Theory Center, Department of Chemistry, and Minnesota Supercomputing Institute University of Minnesota Minneapolis MN 55455-0431 USA
4. Chemical Sciences Division Lawrence Berkeley National Laboratory Berkeley CA 94720 USA
5. Centro de Ciências e Tecnologias Nucleares Instituto Superior Técnico Universidade de Lisboa 2695-066 Bobadela LRS Portugal
6. Department of Chemistry Fudan University Shanghai 200433 China
7. Anorganische Chemie Institut für Chemie und Biochemie Freie Universität Berlin 14195 Berlin Germany
8. Physical and Theoretical Chemistry Lab Universität Siegen 57068 Siegen Germany