1. Department of Physics, University of Texas at Dallas 1 , Richardson, Texas 75080, USA
2. Research Computing Center, University of North Carolina 2 , Chapel Hill, North Carolina 27599, USA
3. Department of Chemistry, University of North Carolina 3 , Chapel Hill, North Carolina 27599, USA
4. Department of Chemistry and Biochemistry, University of Texas at Dallas 4 , Richardson, Texas 75080, USA