Normal vibrational analysis of the triplet excited state of C60

Physical Review B - Condensed Matter and Materials Physics

Volumn 63, Issue 11, 2001, Pages

  Hara, Toshiki ^a   Onoe, Jun ^a   Takeuchi, Kazuo ^a  

^a INST OF PHYS AND CHEMICAL RESEARCH   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON;

ARTICLE; CHEMICAL STRUCTURE; DENSITY; GEOMETRY; MOLECULAR PHYSICS; QUANTUM THEORY; VIBRATION;

EID: 85038947113     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.63.115412     Document Type: Article

References (40)

1. K. W. Kroto, J. R. Heath, S. C. O’Brien, R. F. Curl, and R. E. Smalley, Nature (London), 318, 162 (1985).
2. M. S. Dresselhaus, G. Dresselhaus, and P. C. Eklund, Science of Fullerenes and Carbon Nanotubes (Academic Press, New York, 1996).
3. J. W. Arbogast, A. P. Darmanyan, C. S. Foote, Y. Rubin, F. N. Diederich, M. M. Alvarez, S. J. Anz, and R. L. Whetten, J. Phys. Chem., 95, 11 (1991).
4. F. Negri, G. Orlandi, and F. Zerbetto, Chem. Phys. Lett., 144, 31 (1988).
5. H. A. Jahn and E. Teller, Proc. R. Soc. London, Ser. A, 161, 220 (1937).
6. P. R. Surján, L. Udvardi, and K. Németh, J. Mol. Struct.: THEOCHEM, 311, 55 (1994).
7. M. R. Wasielewski, M. P. O’Neil, K. R. Lykke, M. J. Pellin, and D. M. Gruen, J. Am. Chem. Soc., 113, 2774 (1991)
8. M. Bennati, A. Grupp, M. Mehring, K. P. Dinse, and J. Fink, Chem. Phys. Lett., 200, 440 (1992)
9. G. L. Closs, P. Gautam, D. Zhang, P. J. Krusic, S. A. Hill, and E. Wasserman, J. Phys. Chem., 96, 5228 (1992)
10. A. Regev, D. Gamliel, V. Meiklyar, S. Michaeli, and H. Levanon, J. Phys. Chem., 97, 3671 (1993).
11. A. Angerhofer, J. U. von Schütz, D. Widmann, W. H. Müller, H. U. ter Merr, and H. Sixl, Chem. Phys. Lett., 217, 403 (1994).
12. P. R. Surján, K. Németh, M. Bennati, A. Grupp, and M. Mehring, Chem. Phys. Lett., 251, 115 (1996).
13. M. Kállay, K. Németh, and P. R. Surján, J. Phys. Chem., 102, 1261 (1998).
14. M. Bennati, A. Grupp, and M. Mehring, J. Chem. Phys., 102, 9457 (1995).
15. P. R. Surján, M. Kállay, G. Dömötör, L. Stachó, and M. I. Bán, in Molecular Nanostructures, Proceedings of the International Winterschool on Electronic Properties of Novel Materials, Tirol, Austria (World Scientific, Singapore, 1997), p. 147.
16. S. C. Jeoung, D. Kim, S. Kim, and S. K. Kim, Chem. Phys. Lett., 241, 528 (1995).
17. G. Chambers and H. J. Byrne, Chem. Phys. Lett., 302, 307 (1999).
18. E. J. Baerends, D. E. Ellis, and P. Ros, Chem. Phys., 2, 41 (1973).
19. G. te Velde and E. J. Baerends, J. Comput. Phys., 99, 84 (1992).
20. J. Kohanoff, W. Andreoni, and M. Parrinello, Phys. Rev. B, 46, 4371 (1992).
21. X. Q. Wang, C. Z. Wang, and K. M. Ho, Phys. Rev. B, 48, 1884 (1993).
22. D. A. Dixon, B. E. Chase, G. Fitzgerald, and N. Matsuzawa, J. Phys. Chem., 99, 4486 (1995).
23. S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys., 58, 1200 (1980).
24. L. Fan and T. Ziegler, J. Phys. Chem., 96, 6937 (1992)
25. L. Fan, T. Ziegler, J. Chem. Phys., 96, 9005 (1992).
26. A. Scuseria, Chem. Phys. Lett., 176, 423 (1991).
27. C. S. Yannoni, P. P. Bernier, D. S. Bethune, G. Maijer, and J. R. Salem, J. Am. Chem. Soc., 113, 3190 (1991).
28. W. I. F. David, R. M. Ibberson, J. C. Matthewman, K. Prassides, T. J. S. Dennis, J. P. Hare, H. W. Kroto, R. Taylor, and D. R. M. Walton, Nature (London), 353, 147 (1991).
29. K. Hedberg, L. Hedberg, D. S. Bethune, C. A. Brown, H. C. Dorn, R. D. Johonson, and M. de Vries, Science, 254, 410 (1991).
30. K.-A. Wang, A. M. Rao, P. C. Edlund, M. S. Dresselhaus, and G. Dresselhaus, Phys. Rev. B, 48, 11 375 (1993).
31. Z.-H. Dong, P. Zhou, J. M. Holden, P. C. Eklund, M. S. Dresselhaus, and G. Dresselhaus, Phys. Rev. B, 48, 2862 (1993).
32. J. Onoe and K. Takeuchi, Phys. Rev. B, 54, 6167 (1996).
33. M. Yamaguchi, T. Momose, and T. Shida, J. Chem. Phys., 93, 4211 (1990).
34. R. L. Gordon, J. Comput. Chem., 9, 924 (1988).
35. F. Dushinsky, Acta Physicochim. URSS, 7, 551 (1937).
36. G. J. Small, J. Chem. Phys., 54, 3300 (1971).
37. T. Ledwig, H. Kupka, and H.-H. Perkampus, J. Lumin., 43, 25 (1989).
38. W. Siebrand and M. Z. Zgierski, in Excited States, edited by E. C. Lim (Academic, New York, 1979), Vol. 4, p. 93.
39. R. J. Sension, R. J. Brudzynski, S. Li, F. Zerbetto, and M. Z. Zgierski, J. Chem. Phys., 96, 2617 (1992).
40. T. Inui, Y. Tanabe, and Y. Onodera, Applied Group Theory, 6th ed. (Syokabo, Tokyo, 1988).