Pseudo-Jahn-Teller origin of geometry and pseudorotations in second row tetra-atomic clusters X 4 (X=Na,Mg,Al,Si,P,S)

Journal of Chemical Physics

Volumn 124, Issue 4, 2006, Pages

  Garcia Fernandez, Pablo ^a   Bersuker, Isaac B ^a   Boggs, James E ^a  

^a UNIVERSITY OF TEXAS AT AUSTIN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC MECHANISM; HIGH-SYMMETRY MOLECULAR CONFIGURATIONS; JAHN-TELLER (JT) VIBRONIC COUPLING; SQUARE-PLANAR CONFIGURATION;

ELECTRIC EXCITATION; ELECTRON TUNNELING; ELECTRONIC STRUCTURE; GROUND STATE; RATE CONSTANTS; REACTION KINETICS;

MOLECULAR STRUCTURE;

EID: 31544465757     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2150436     Document Type: Article

References (33)

1. I. B. Bersuker, The Jahn Teller Effect (Cambridge University Press, Cambridge, England, 2005).
2. I. B. Bersuker and V. Z. Pollinger, Vibronic Interactions in Molecules and Crystals (Springer-Verlag, Berlin, 1989).
3. I. B. Bersuker, Chem. Rev. (Washington, D.C.) 101, 1067 (2001).
4. P. Geerlings, F. De Proft, and W. Langenaeker, Chem. Rev. (Washington, D.C.) 103, 1793 (2003).
5. R. Pushpa, S. Narasimhan, and U. Waghmare, J. Chem. Phys. 121, 5211 (2004).
6. J. L. Martins, J. Buttet, and R. Car, Phys. Rev. Lett. 53, 655 (1984).
7. J. Guan, M. E. Casida, A. M. Köster, and D. R. Salahub, Phys. Rev. B 52, 2184 (1995).
8. I. A. Solv'yov, A. V. Solv'yov, and W. Greiner, Phys. Rev. A 65, 053203 (2002).
9. K. R. S. Chandrakumar, T. K. Ghanty, and S. K. Ghosh, J. Chem. Phys. 120, 6489 (2004).
10. I. Vasiliev, S. Ogut, and J. R. Chelikowsky, Phys. Rev. Lett. 78, 4805 (1997).
11. E. C. Honea, A. Ogura, D. R. Peale, C. F́lix, C. A. Murray, K. Raghavachari, W. O. Sprenger, M. F. Jarrold, and W. L. Brown, J. Chem. Phys. 110, 12161 (1999).
12. C. Pouchan, B. B́gú, and D. Y. Zhang, J. Chem. Phys. 121, 4628 (2004).
13. F. Reuse, S. N. Khanna, V. de Coulon, and J. Buttet, Phys. Rev. B 41, 11743 (1990).
14. R. O. Jones and D. Hohl, J. Chem. Phys. 92, 6710 (1990).
15. L. R. Maxwell, S. B. Hendricks, and V. M. Mosley, J. Chem. Phys. 3, 699 (1935).
16. R. O. Jones, J. Chem. Phys. 99, 1194 (1993).
17. B. K. Rao and P. Jena, J. Chem. Phys. 111, 1890 (1999).
18. T. Upton, J. Chem. Phys. 86, 7054 (1987).
19. K. Jug, H. P. Schluff, H. Kupka, and R. Iffert, J. Comput. Chem. 9, 803 (1988).
20. D. Hohl, R. O. Jones, R. Car, and M. Parrinello, J. Chem. Phys. 89, 6823 (1988).
21. S. Millefiori and A. Alparone, J. Phys. Chem. A 105, 4489 (2001).
22. M. C. McCarthy, S. Thorwirth, C. A. Gottlieb, and P. Thaddeus, J. Chem. Phys. 121, 632 (2004).
23. S. Thorwirth, M. C. McCarthy, C. A. Gottlieb, P. Thaddeus, H. Gupta, and J. F. Stanton, J. Chem. Phys. 123, 054326 (2005).
24. G. E. Quelch, H. F. Schaefer III, and C. J. Marsden, J. Am. Chem. Soc. 112, 8719 (1990).
25. R. Englman, Jahn-Teller Effect in Molecules and Crystals (Wiley, New York, 1972).
26. I. B. Bersuker, N. N. Gorinchoi, and V. Z. Polinger, Theor. Chim. Acta 66, 161 (1984).
27. I. B. Bersuker, Nouv. J. Chim. 4, 139 (1980).
28. I. B. Bersuker, Fiz. Tverd. Tela (Leningrad) 30, 1738 (1988).
29. I. B. Bersuker, N. B. Balabanov, D. Pekker, and J. E. Boggs, J. Chem. Phys. 117, 10478 (2002).
30. M. Torrent-Sucarrat, J. M. Luis, M. Duran, and M. Sol̀, J. Chem. Phys. 117, 10561 (2002).
31. J.-J. Werner, J. Knowles, M. Schütz, MOLPRO, version 2002.06, www.molpro.net
32. A. D. Becke, J. Chem. Phys. 98, 5648 (1993).
33. M. J. Bearpark, L. Blancafort, and M. A. Robb, Mol. Phys. 100, 1735 (2002).