1. Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA
2. School of Mathematics and Physics, University of Lincoln, Brayford Pool, Lincoln LN6 7TS, United Kingdom
3. Departmento de Quimica-Fisica I, Facultad de Ciencias Quimicas, Universidad Complutense de Madrid, 28040 Madrid, Spain
4. Department of Physics, University of Warwick, Gibbet Hill Road, Coventry CV4 7AL, United Kingdom
5. Department of Mathematics and Statistics, University of Guelph, Guelph, Ontario N1G2W1, Canada
6. Department of Chemistry, University of Guelph, Guelph, Ontario N1G2W1, Canada
7. Department of Chemical Engineering, University of California, Santa Barbara, California 93106, USA
8. Department of Chemistry and Biochemistry, University of California, Santa Barbara, California 93106, USA