Jahn-Teller Distortion Versus Spin-Orbit Splitting: Symmetry of Small Heavy-Metal Atom Clusters

Journal of Cluster Science

Volumn 22, Issue 3, 2011, Pages 355-363

  Baldes, Alexander ^a   Gulde, Rebekka ^a   Weigend, Florian ^a  

^a KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

Author keywords

Density functional study; Jahn Teller effect; Metal clusters; Spin orbit coupling

Indexed keywords

EID: 80053210366     PISSN: 10407278     EISSN: 15728862     Source Type: Journal    
DOI: 10.1007/s10876-011-0379-1     Document Type: Article

References (15)

1. R. Ahlrichs and S. Elliott (1999). Phys. Chem. Chem. Phys. 2, 313.
2. F. Furche, R. Ahlrichs, P. Weis, C. Jacob, S. Gilb, T. Bierweiler, and M. M. Kappes (2002). J. Chem. Phys. 117, 6982.
3. F. Weigend and A. Baldes (2010). J. Chem. Phys. 133, 174102.
4. U. Wedig, V. Saltykov, J. Nuss, and M. Jansen (2010). J. Am. Chem. Soc. 132, 12458.
5. V. Saltykov, J. Nuss, U. Wedig, and M. Jansen (2011). Z. Allg. Anorg. Chem. 637, 357.
6. M. Sierka, J. Döbler, J. Sauer, G. Santambrogio, M. Brümmer, L. Wöste, E. Janssens, G. Meijer, and K. R. Asmis (2007). Angew. Chem. Int. Ed. 46, 3372.
7. A. D. Becke (1988). Phys. Rev. A38, 3098.
8. J. P. Perdew (1986). Phys. Rev. B33, 8822.
9. B. Metz, H. Stoll, and M. Dolg (2000). J. Chem. Phys. 113, 2563.
10. D. Figgen, K. A. Peterson, M. Dolg, and H. Stoll (2009). J. Chem. Phys. 130, 164108.
11. F. Weigend (2006). Phys. Chem. Chem. Phys. 8, 1057.
12. TURBOMOLE V6. 3, TURBOMOLE GmbH Karlsruhe, 2011, http://www. turbomole. de. TURBOMOLE is a development of University of Karlsruhe and Forschungszentrum Karlsruhe 1989-2007, TURBOMOLE GmbH since 2007.
13. M. K. Armbruster, F. Weigend, C. van Wüllen, and W. Klopper (2008). Phys. Chem. Chem. Phys. 10, 1748-1756.
14. A. Baldes and F. Weigend (in preparation) (the feature is available in TURBOMOLE V6. 3).
15. P. Nava, M. Sierka, and R. Ahlrichs (2003). Phys. Chem. Chem. Phys. 5, 3372.