Ground and excited Hubbard states for buckminsterfullerene with uniform and alternating bond strengths

Journal of Chemical Physics

Volumn 112, Issue 19, 2000, Pages 8233-8240

  Flocke, N ^a   Schmalz, T G ^a   Klein, D J ^a  

^a TEXAS A AND M UNIVERSITY AT GALVESTON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001618353     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.481477     Document Type: Article

References (22)

1. J. Hubbard, Proc. R. Soc. London, Ser. A 276, 238 (1963); 281, 401 (1964).
2. J. Hubbard, Proc. R. Soc. London, Ser. A 276, 238 (1963); 281, 401 (1964).
3. K. Hedberg et al., Science 254, 410 (1991).
4. F. Wudl, in Buckminsterfullerenes, edited by W. E. Billups and M. A. Ciufolini (VCH, New York, 1993), Chap. 13.
5. H. Weyl, The Theory of Groups and Quantum Mechanics (Dover, New York, 1950).
6. N. Flocke and T. G. Schmalz, Int. J. Quantum Chem. 76, 83 (2000).
7. R. A. Davidson, Theor. Chim. Acta 58, 193 (1981); W. B. Brown, Chem. Phys. Lett. 136, 128 (1987).
8. R. A. Davidson, Theor. Chim. Acta 58, 193 (1981); W. B. Brown, Chem. Phys. Lett. 136, 128 (1987).
9. J. A. Pople, R. Seeger, and R. Krishnan, Int. J. Quantum Chem. S11, 149 (1977).
10. W. Duch and G. H. F. Diercksen, J. Chem. Phys. 101, 3018 (1994).
11. E. R. Davidson, in The World of Quantum Chemistry, edited by R. Daudel and B. Pullman (Reidel, Dordrecht, 1974), p. 17; R. Langhoff and E. R. Davidson, Int. J. Quantum Chem. 8, 61 (1974).
12. E. R. Davidson, in The World of Quantum Chemistry, edited by R. Daudel and B. Pullman (Reidel, Dordrecht, 1974), p. 17; R. Langhoff and E. R. Davidson, Int. J. Quantum Chem. 8, 61 (1974).
13. B. Srinivasan, S. Ramasesha, and H. R. Krishnamurthy, J. Phys. Chem. 100, 11 260 (1996).
14. B. Srinivasan, S. Ramasesha, and H. R. Krishnamurthy, Phys. Rev. B 54, 1692 (1996).
15. C. Møller and M. S. Plesset, Phys. Rev. 46, 618 (1934); A. Szabo and N. S. Ostlund, Modern Quantum Chemistry. Introduction to Advanced Electronic Structure Theory (McGraw-Hill, New York, 1989).
16. C. Møller and M. S. Plesset, Phys. Rev. 46, 618 (1934); A. Szabo and N. S. Ostlund, Modern Quantum Chemistry. Introduction to Advanced Electronic Structure Theory (McGraw-Hill, New York, 1989).
17. See J. Cioslowski, Electronic Structure Calculations on Fullerenes and their Derivatives (Oxford University Press, New York, 1995), p. 63.
18. J. W. Arbogast et al., J. Phys. Chem. 95, 11 (1991).
19. Y. Zeng, L. Biczok, and H. Linschitz, J. Phys. Chem. 96, 5237 (1992).
20. R. E. Haufler et al., Chem. Phys. Lett. 179, 449 (1991).
21. Z. Gasyna et al., Chem. Phys. Lett. 183, 283 (1991).
22. P. Joyes and R. J. Tarento, Phys. Rev. B 45, 12 077 (1992).