1. State
Key Laboratory of Theoretical and Computational Chemistry Institute
of Theoretical Chemistry, Jilin University, Changchun 130023, P. R. China
2. Center
for Computational Quantum Chemistry, South China Normal University, Guangzhou 510631, P. R. China
3. Center for Nanophase Materials Sciences and Computer Science & Mathematics Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6493, United States