1. Center
for Computational Molecular Science and Technology, School of Chemistry
and Biochemistry, and School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, United States
2. Department
of Chemistry and Biochemistry, Auburn University, Auburn, Alabama 36849-5312, United States
3. Solar & Photovoltaics Engineering Research Center, Physical Science and Engineering Division King Abdullah University of Science and Technology, Thuwal 23955-6900, Kingdom of Saudi Arabia
4. Department
of Physics, Tulane University, New Orleans, Louisiana 70118-5645, United States