1. Instituto de Física “Gleb Wataghin”, Universidade Estadual de Campinas, UNICAMP, 13083-859 Campinas, São Paulo, Brazil
2. Department of Chemistry, The University of Utah, 315 South 1400 East, Salt Lake City, Utah 84112-0850, United States
3. Center for Computing in Engineering & Sciences, Universidade Estadual de Campinas, UNICAMP, 13083-861, Campinas, São Paulo, Brazil