1. The Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States
2. Department of Materials Science and Engineering, University of Tennessee, Knoxville Tennessee 37916, United States
3. Computational Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States
4. National Institute for Computational Sciences, University of Tennessee, Knoxville Tennessee 37831, United States
5. Department of Chemistry, University of Tennessee, Knoxville, Tennessee 37996, United States
6. Institute for Molecules and Materials, Radboud University, NL-6525 AJ Nijmegen, The Netherlands
7. Theory and Simulation of Condensed Matter, King’s College London, The Strand, WC2R 2LS London, U.K.
8. Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States
9. Department of Physics and Astronomy, University of Tennessee, Knoxville, Tennessee 37996, United States