1. Centre
for Theoretical Chemistry and Physics, The New Zealand Institute for
Advanced Study and Institute of Mathematical and Natural Sciences, Massey University Albany, Private Bag 102904, Auckland 0745, New Zealand
2. Interdisciplinary
Center for Scientific Computing, Universität Heidelberg, Im Neuenheimer
Feld 368, D-69120 Heidelberg, Germany
3. Institut
für Chemie, Universität Rostock, Albert-Einstein-Straße 3a, D-18059 Rostock, Germany