1. Department of Materials Science & Engineering, North Carolina State University, Raleigh, North Carolina 27606, United States
2. Quantum Simulation Group, Lawrence Livermore National Laboratory, Livermore, California 94550, United States
3. Department of Chemistry, University of California, Riverside, California 92521, United States
4. INM - Leibniz Institute for New Materials, Campus D2 2, 66123 Saarbrücken, Germany
5. Saarland University, Campus D2 2, 66123 Saarbrücken, Germany