1. Max Planck Institute for Solid State Research, Stuttgart 70569, Germany
2. Theory Department, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin 14195, Germany
3. IEK-9, Forschungszentrum Jülich, Jülich D-52425, Germany
4. Department of Chemistry, Ludwig-Maximilians-Universität (LMU), Butenandtstr. 5-13, Munich 81377, Germany
5. e-conversion, Lichtenbergstr. 4a, Garching 85748, Germany