[1] Lawrence Berkeley Natl. Laboratory, Computing Sciences, Berkeley, CA 94720, United States
[2] Department of Applied Science, Universitv of California-Davis, Livermore, CA 94551, United States
[3] Department of Chemistry, University of California, Berkeley, CA 94720, United States
[4] Lawrence Livermore Natl. Laboratory, Physics and Advanced Technologies, Livermore, CA 94551, United States